| CAS Number | 914636-88-7 |
| Catalog Number | AG01DQS2(AGN-PC-0589UF) |
| Chemical Name | Methyl 4-amino-3-bromo-5-chlorobenzoate |
| IUPAC Name | methyl 4-amino-3-bromo-5-chlorobenzoate |
| InChI | InChI=1S/C8H7BrClNO2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,11H2,1H3 |
| InChI Key | TYJRRVAUVDDHKZ-UHFFFAOYSA-N |
| MDL Number | MFCD08436084 |
| Molecular Formula | C8H7BrClNO2 |
| Molecular Weight | 264.5037 |
| SMILES | NC1=C(C=C(C(=O)OC)C=C1Cl)Br |
| Synonyms | methyl 4-amino-3-bromo-5-chlorobenzoate,
914636-88-7,
Methyl-4-amino-3-bromo-5-chlorobenzoate,
CTK6I9258,
ZX-AT008608,
MFCD08436084,
ZINC16124427,
AKOS027385697,
FCH1386721,
BC651187,
|
| 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 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number