| CAS Number | 1312454-86-6 |
| Catalog Number | AG00HSEC(AGN-PC-0WCMUN) |
| Chemical Name | 2-Amino-4-bromo-6-fluorobenzoic acid |
| IUPAC Name | 2-amino-4-bromo-6-fluorobenzoic acid |
| InChI | InChI=1S/C7H5BrFNO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,10H2,(H,11,12) |
| InChI Key | VWMWKITYXSGIIM-UHFFFAOYSA-N |
| MDL Number | MFCD26386859 |
| Molecular Formula | C7H5BrFNO2 |
| Molecular Weight | 234.0225 |
| SMILES | O=C(O)C1=C(F)C=C(Br)C=C1N |
| Synonyms | 2-amino-4-bromo-6-fluorobenzoic acid,
1312454-86-6,
SCHEMBL2039681,
VWMWKITYXSGIIM-UHFFFAOYSA-N,
MFCD26386859,
AKOS027338878,
ZINC117854992,
AS-36431,
|
| 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 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number