Methyl 2-chloroacrylate
PubChem CID: 6659
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| Compound Synonyms | METHYL 2-CHLOROACRYLATE, 80-63-7, Methyl alpha-chloroacrylate, methyl 2-chloroprop-2-enoate, Methyl-2-chloroacrylate, Methyl 2-chloro-2-propenate, 2-Chloroacrylic acid, methyl ester, Methyl-alpha-chloroacrylate, Acrylic acid, 2-chloro-, methyl ester, Methyl 2-chloro-2-propenoate, 2-Propenoic acid, 2-chloro-, methyl ester, Methyl .alpha.-chloroacrylate, NSC 32608, HSDB 5238, Propenoic acid, 2-chloro-, methyl ester, Methylester kyseliny 2-chlorakrylove, EINECS 201-298-7, UNII-47PG4L077J, BRN 1421536, 47PG4L077J, Methylester kyseliny 2-chlorakrylove [Czech], Methyl 2-chloropropenoate, NSC-32608, DTXSID4025585, 2-chloroacrylic acid methyl ester, METHYL 2-CHLORO-2-PROPENOATE [HSDB], Methyl 2-Chloroacrylate (stabilized with hydroquinone), Methylester kyseliny 2-chlorakrylove (Czech), METHYL a-CHLOROACRYLATE, 2-Propenoic acid,2-chloro-, methyl ester, MFCD00051368, Methyl 2chloroacrylate, methyl-a-chloroacrylate, methylalphachloroacrylate, methyl alphachloroacrylate, Methyl 2chloro2propenoate, WLN: 1UYGVO1, METHYL CHLOROACRYLATE, Methyl-.alpha.-chloroacrylate, SCHEMBL395499, DTXCID905585, 2Chloroacrylic acid, methyl ester, Methylester kyseliny 2chlorakrylove, 2-chloro-acrylic acid methyl ester, NSC32608, Methyl 2-Chloroacrylate, >/=98%, AB9663, Acrylic acid, 2chloro, methyl ester, AKOS032949740, Propenoic acid, 2chloro, methyl ester, 2Propenoic acid, 2chloro, methyl ester, AS-44982, DB-401989, NS00038079, EN300-118257, 2-CHLORO-2-PROPENOIC ACID, METHYL ESTER, Q6823931, 201-298-7 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 97.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-chloroprop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C4H5ClO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AWJZTPWDQYFQPQ-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.482 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.051 |
| Compound Name | Methyl 2-chloroacrylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 119.998 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 119.998 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 120.53 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4255169999999997 |
| Inchi | InChI=1S/C4H5ClO2/c1-3(5)4(6)7-2/h1H2,2H3 |
| Smiles | COC(=O)C(=C)Cl |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients