| CAS Number | 1445322-56-4 |
| Catalog Number | AG001JPR(AGN-PC-0WADR8) |
| Chemical Name | Benzoic acid, 2-amino-4-bromo-5-chloro-, methyl ester |
| IUPAC Name | methyl 2-amino-4-bromo-5-chlorobenzoate |
| InChI | InChI=1S/C8H7BrClNO2/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3H,11H2,1H3 |
| InChI Key | MVUXWLVSWKZDLJ-UHFFFAOYSA-N |
| MDL Number | MFCD25121752 |
| Molecular Formula | C8H7BrClNO2 |
| Molecular Weight | 264.5037 |
| SMILES | O=C(OC)C1=CC(Cl)=C(Br)C=C1N |
| Synonyms | METHYL 2-AMINO-4-BROMO-5-CHLOROBENZOATE,
1445322-56-4,
SCHEMBL18668513,
KM3762,
ZINC95495547,
V3333,
Benzoic acid, 2-amino-4-bromo-5-chloro-, methyl ester,
C8H7BrClNO2,
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| 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 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number