| CAS Number | 3030-19-1 |
| Catalog Number | AG01FGZ8(AGN-PC-0R5NQ1) |
| Chemical Name | 6-Amino-3-bromo-2-chlorobenzoic acid |
| IUPAC Name | 6-amino-3-bromo-2-chlorobenzoic acid |
| InChI | InChI=1S/C7H5BrClNO2/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2H,10H2,(H,11,12) |
| InChI Key | AQQXRSNOIQEAMM-UHFFFAOYSA-N |
| MDL Number | MFCD06409110 |
| Molecular Formula | C7H5BrClNO2 |
| Molecular Weight | 250.4771 |
| SMILES | O=C(O)C1=C(N)C=CC(Br)=C1Cl |
| Synonyms | 6-amino-3-bromo-2-chlorobenzoic acid,
3030-19-1,
Benzoic acid, 6-amino-3-bromo-2-chloro-,
AC1O53HR,
SCHEMBL7773588,
DTXSID00184394,
MFCD06409110,
ZINC33985848,
FCH1378144,
6-amino-3-bromo-2-chloro-benzoic acid,
AN-20884,
OR400466,
C7H5BrClNO2,
C7-H5-Br-Cl-N-O2,
CID6451499,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.476g/mol |
| Monoisotopic Mass | 248.919g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number