| CAS Number | 190367-58-9 |
| Catalog Number | AG01ACJZ(AGN-PC-0N8PL2) |
| Chemical Name | Methyl 3-amino-4-chloro-2-methylbenzoate |
| IUPAC Name | methyl 3-amino-4-chloro-2-methylbenzoate |
| InChI | InChI=1S/C9H10ClNO2/c1-5-6(9(12)13-2)3-4-7(10)8(5)11/h3-4H,11H2,1-2H3 |
| InChI Key | GRLIJZQYYIKCEQ-UHFFFAOYSA-N |
| MDL Number | MFCD20701380 |
| Molecular Formula | C9H10ClNO2 |
| Molecular Weight | 199.6342 |
| SMILES | CC1=C(C=CC(=C1N)Cl)C(=O)OC |
| Synonyms | methyl 3-amino-4-chloro-2-methylbenzoate,
190367-58-9,
SCHEMBL543452,
GRLIJZQYYIKCEQ-UHFFFAOYSA-N,
ZINC39169084,
AKOS027441561,
NE23599,
Benzoic acid, 3-amino-4-chloro-2-methyl-, methyl ester,
CID10679509,
Methyl 3-amino-4-chloro-2-methyl-benzoate,
|
| 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 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number