| CAS Number | 101080-36-8 |
| Catalog Number | AG009KE9 |
| Chemical Name | Benzoic acid, 2-aMino-3-broMo-5-chloro-, Methyl ester |
| EC Number | 600-161-2 |
| IUPAC Name | methyl 2-amino-3-bromo-5-chlorobenzoate |
| InChI | InChI=1S/C8H7BrClNO2/c1-13-8(12)5-2-4(10)3-6(9)7(5)11/h2-3H,11H2,1H3 |
| InChI Key | QKQDVOQJMQIBNN-UHFFFAOYSA-N |
| MDL Number | MFCD07780733 |
| Molecular Formula | C8H7BrClNO2 |
| Molecular Weight | 264.5037 |
| SMILES | COC(=O)c1cc(cc(c1N)Br)Cl |
| Synonyms | METHYL 2-AMINO-3-BROMO-5-CHLOROBENZOATE,
SCHEMBL19776258,
CTK6I9277,
ZINC19772406,
AKOS002677362,
AS03612,
101080-36-8,
BB 0243918,
2-Amino-3-bromo-5-chloro-benzoic acid methyl ester,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.503g/mol |
| Monoisotopic Mass | 262.935g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number