Chloroacetic acid
PubChem CID: 300
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| Compound Synonyms | chloroacetic acid, Monochloroacetic acid, 79-11-8, 2-chloroacetic acid, Chloracetic acid, Chloroethanoic acid, Acetic acid, chloro-, Acide chloracetique, Monochloroethanoic acid, Monochloracetic acid, Monochloorazijnzuur, Monochloressigsaeure, Acidomonocloroacetico, 2-chloro-acetic acid, Acide monochloracetique, Chloroacetic acid, solid, Acide chloroacetique, Kyselina chloroctova, Acetocaustin, Chloroacetic, 2-chloro-ethanoic acid, Caswell No. 179B, Chloroacetic acid [BSI:ISO], Acetic acid, 2-chloro-, .alpha.-Chloroacetic acid, NSC 142, Monochloorazijnzuur [Dutch], NCI-C60231, Acide chloracetique [French], Kyselina chloroctova [Czech], monochloro acetic acid, Monochloressigsaeure [German], Acide chloroacetique [French], alpha-Chloroacetic acid, Acidomonocloroacetico [Italian], CCRIS 2117, HSDB 939, Acide monochloracetique [French], Chloroacetic acid, molten, Monochloroacetic acid [BSI:ISO], Acide chloracetique [ISO-French], Chloroacetic acid (80% or less), chloro-acetic acid, EINECS 201-178-4, Acetocaustin (TN), EPA Pesticide Chemical Code 279400, UNII-5GD84Y125G, BRN 0605438, CH2ClCOOH, DTXSID4020901, CHEBI:27869, AI3-25035, NSC-142, 5GD84Y125G, CHLOROACETIC-ACID, alpha-chloro-acetic acid, MFCD00002683, DTXCID20901, Monochloracetic acidacide monochloracetique, Chloroacetic acid, liquid, EC 201-178-4, 4-02-00-00474 (Beilstein Handbook Reference), CHLOROACETIC ACID CRYSTALLINE, Chloroacetic acid, molten [UN3250] [Poison], Chloroacetic acid, solid [UN1751] [Poison], Acide chloracetique (ISO-French), MONOCHLOROACETIC ACID (MART.), MONOCHLOROACETIC ACID [MART.], sJPhLQDIKTp@, MCAA, UN1750, UN1751, UN3250, Chloressigsauer, Chlorethansauere, CHLOROACETIC ACID, ACS, cloroacetic acid, chloro acetic acid, Monochloor azijnzuur, R3W, ClCH2COOH, monochloro-acetic acid, Acidomono chloroacetico, Acide monochloroacetique, Chloroacetic acid, 99%, Chloroacetic acid, solid [UN1751] [Poison], bmse000367, WLN: QV1G, Chloroacetic acid, molten [UN3250] [Poison], Chloroacetic acid, >=99%, NCIOpen2_002217, Chloroacetic acid, ACS grade, MLS001065621, BIDD:ER0630, CHEMBL14090, CHLOROACETIC ACID [MI], NSC142, CHLOROACETIC ACID [ISO], Chloroacetic acid, solid (dot), CHLOROACETIC ACID [HSDB], FOCAUTSVDIKZOP-UHFFFAOYSA-, CHLOROACETIC ACID [VANDF], BCP20585, MSK70013, NSC42970, STR00326, Tox21_201114, BBL037260, LMFA01090068, MONOCHLOROACETIC ACID [VANDF], NSC-42970, STL197882, Chloroacetic acid, analytical standard, AKOS000118920, MONOCHLOROACETIC ACID [WHO-DD], UN 1751, CAS-79-11-8, NCGC00091473-01, NCGC00091473-02, NCGC00091473-03, NCGC00258666-01, 1ST70013, SMR000568484, Chloroacetic acid, for synthesis, 99.0%, Chloroacetic acid, ACS reagent, >=99.0%, Chloroacetic acid, purum, >=97.0% (T), C2123, NS00003112, Chloroacetic acid, puriss., >=99.0% (T), EN300-16767, C06755, D07677, Chloroacetic acid, JIS special grade, >=99.0%, Q409013, Chloroacetic acid, PESTANAL(R), analytical standard, F2190-0289, InChI=1/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5), Chloroacetic acid 1000 microg/mL in Methyl-tert-butyl ether, 201-178-4 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 42.9 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P16473, Q16236 |
| Iupac Name | 2-chloroacetic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT210 |
| Xlogp | 0.2 |
| Molecular Formula | C2H3ClO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FOCAUTSVDIKZOP-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | 0.599 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.959 |
| Compound Name | Chloroacetic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 93.9822 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 93.9822 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 94.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.49848140000000013 |
| Inchi | InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5) |
| Smiles | C(C(=O)O)Cl |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rauvolfia Verticillata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all