| CAS Number | 1342419-84-4 |
| Catalog Number | AG01A1LN |
| Chemical Name | Methyl 3-amino-5-bromo-2-chlorobenzoate |
| IUPAC Name | methyl 3-amino-5-bromo-2-chlorobenzoate |
| InChI | InChI=1S/C8H7BrClNO2/c1-13-8(12)5-2-4(9)3-6(11)7(5)10/h2-3H,11H2,1H3 |
| InChI Key | SGLZVULGWXAYLZ-UHFFFAOYSA-N |
| MDL Number | MFCD17276527 |
| Molecular Formula | C8H7BrClNO2 |
| Molecular Weight | 264.5037 |
| SMILES | O=C(OC)C1=CC(Br)=CC(N)=C1Cl |
| Synonyms | methyl 3-amino-5-bromo-2-chlorobenzoate,
1342419-84-4,
SCHEMBL13280601,
SGLZVULGWXAYLZ-UHFFFAOYSA-N,
ZINC62350376,
AKOS012321776,
MCULE-8500172553,
NE22132,
|
| 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