2-Amino-3-chlorobenzoic acid
PubChem CID: 80807
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| Compound Synonyms | 2-Amino-3-chlorobenzoic acid, 6388-47-2, 3-Chloroanthranilic acid, Benzoic acid, 2-amino-3-chloro-, 2-amino-3-chloro-benzoic acid, Anthranilic acid, 3-chloro-, MFCD00134229, EINECS 228-996-4, DTXSID00213395, NSC 20671, 3-Chloro-2-aminobenzoic acid, 2-Amino-3-chlorobenzoicacid, 2-Amino-3-chloro-benzoic Acid, 3-Chloro-2-aminobenzoic Acid, 3-Chloroanthranilic Acid, NSC 20671, , 2-amino-3-chlorobenzoate, Amino-3-chlorobenzoic acid, SCHEMBL146560, 2-amino-3-chloro benzoic acid, 3-Chloro-2-amino benzoic acid, CHEMBL5266424, DTXCID00135886, ALBB-025048, NSC20671, STR04272, NSC-20671, STL183330, 2-Amino-3-chlorobenzoic acid, 95%, AKOS001200767, AB03731, CS-W002412, FA00606, HY-W002412, AC-23737, SY030539, DB-005162, A0786, NS00035602, EN300-23804, Z164708876, 228-996-4 |
|---|---|
| Topological Polar Surface Area | 63.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 163.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3-chlorobenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C7H6ClNO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LWUAMROXVQLJKA-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.665 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.002 |
| Compound Name | 2-Amino-3-chlorobenzoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 171.009 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 171.009 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 171.58 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.469950963636364 |
| Inchi | InChI=1S/C7H6ClNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11) |
| Smiles | C1=CC(=C(C(=C1)Cl)N)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Backhousia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Capraria Biflora (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Centipeda Minima (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Mentha Timija (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Senecio Macrocephalus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Upuna Borneensis (Plant) Rel Props:Source_db:cmaup_ingredients