| CAS Number | 79101-83-0 |
| Catalog Number | AG00GAJC(AGN-PC-0WAJ1L) |
| Chemical Name | Benzoic acid, 2-aMino-5-chloro-3-Methyl-, Methyl ester |
| IUPAC Name | methyl 2-amino-5-chloro-3-methylbenzoate |
| InChI | InChI=1S/C9H10ClNO2/c1-5-3-6(10)4-7(8(5)11)9(12)13-2/h3-4H,11H2,1-2H3 |
| InChI Key | BOYQWVQNPIZDPU-UHFFFAOYSA-N |
| MDL Number | MFCD11501868 |
| Molecular Formula | C9H10ClNO2 |
| Molecular Weight | 199.6342 |
| SMILES | C(=O)(OC)c1c(N)c(C)cc(c1)Cl |
| Synonyms | methyl 2-amino-5-chloro-3-methylbenzoate,
79101-83-0,
methyl 2-amino-5-chloro-3-methylbenzenecarboxylate,
Benzoic acid, 2-amino-5-chloro-3-methyl-, methyl ester,
SCHEMBL1056378,
BOYQWVQNPIZDPU-UHFFFAOYSA-N,
KS-000026IJ,
9806AE,
MFCD11501868,
ZINC22996845,
AKOS010054446,
HA-0823,
MCULE-9211330697,
methyl2-amino-5-chloro-3-methylbenzoate,
SC-29527,
methyl 5-chloro-2-amino-3-methyl-benzoate,
2-amino-3-methyl-5-chlorobenzoic acid methyl ester,
C9H10ClNO2,
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| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.634g/mol |
| Monoisotopic Mass | 199.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number