| CAS Number | 66490-53-7 |
| Catalog Number | AG00FIRE(AGN-PC-0WD5Z0) |
| Chemical Name | 2-Amino-3-chloro-5-methylbenzoic acid |
| IUPAC Name | 2-amino-3-chloro-5-methylbenzoic acid |
| InChI | InChI=1S/C8H8ClNO2/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,10H2,1H3,(H,11,12) |
| InChI Key | HJKJNACNNALPNP-UHFFFAOYSA-N |
| MDL Number | MFCD11193638 |
| Molecular Formula | C8H8ClNO2 |
| Molecular Weight | 185.6076 |
| SMILES | O=C(O)C1=CC(C)=CC(Cl)=C1N |
| Synonyms | 2-amino-3-chloro-5-methylbenzoic acid,
66490-53-7,
SCHEMBL221230,
MFCD11193638,
ZINC20475940,
AKOS009259853,
MCULE-5242536265,
NE29220,
AJ-77796,
Benzoic acid, 2-amino-3-chloro-5-methyl-,
EN300-79026,
Z1259339999,
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| Complexity | 186 |
| 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 | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number