| CAS Number | 1339056-03-9 |
| Catalog Number | AG009X0L(AGN-PC-0WNR3Q) |
| Chemical Name | 3-Amino-5-bromo-2-fluorobenzoic acid |
| IUPAC Name | 3-amino-5-bromo-2-fluorobenzoic acid |
| InChI | InChI=1S/C7H5BrFNO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12) |
| InChI Key | MRTOTKCKUHHOLC-UHFFFAOYSA-N |
| MDL Number | MFCD17276581 |
| Molecular Formula | C7H5BrFNO2 |
| Molecular Weight | 234.0225 |
| SMILES | NC1=C(F)C(C(O)=O)=CC(Br)=C1 |
| Synonyms | 3-amino-5-bromo-2-fluorobenzoic acid,
1339056-03-9,
SCHEMBL19951043,
MFCD17276581,
ZINC62350529,
AKOS012321985,
Z9735,
C7H5BrFNO2,
3-AMINO-5-BROMO-2-FLUOROBENZOICACID,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.024g/mol |
| Monoisotopic Mass | 232.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number