| CAS Number | 54675-18-2 |
| Catalog Number | AG00DHYT(AGN-PC-0NJBBJ) |
| Chemical Name | 4-Chloro-2-methylamino-benzoic acid |
| IUPAC Name | 4-chloro-2-(methylamino)benzoic acid |
| InChI | InChI=1S/C8H8ClNO2/c1-10-7-4-5(9)2-3-6(7)8(11)12/h2-4,10H,1H3,(H,11,12) |
| InChI Key | AIKBBXVMNYCRDO-UHFFFAOYSA-N |
| MDL Number | MFCD17290555 |
| Molecular Formula | C8H8ClNO2 |
| Molecular Weight | 185.6076 |
| SMILES | CNC1=C(C=CC(=C1)Cl)C(=O)O |
| Synonyms | 4-Chloro-2-(methylamino)benzoic acid,
54675-18-2,
4-chloro-2-methylamino-benzoic acid,
SCHEMBL1321725,
DTXSID40501647,
AIKBBXVMNYCRDO-UHFFFAOYSA-N,
4-Chloro-2-methylaminobenzoic acid,
4-chloro-N-methyl anthranilic acid,
ZINC39243637,
AKOS012381697,
QC-8565,
AJ-99328,
AB0097333,
EN300-80417,
Z-8737,
Z2471547999,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.607g/mol |
| Monoisotopic Mass | 185.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number