| CAS Number | 1027512-98-6 |
| Catalog Number | AG0008A4(AGN-PC-0WAN2G) |
| Chemical Name | 4-Amino-3-bromo-5-fluorobenzoic acid |
| IUPAC Name | 4-amino-3-bromo-5-fluorobenzoic acid |
| InChI | InChI=1S/C7H5BrFNO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12) |
| InChI Key | PJVAVLLTKLXTFX-UHFFFAOYSA-N |
| MDL Number | MFCD09800713 |
| Molecular Formula | C7H5BrFNO2 |
| Molecular Weight | 234.0225 |
| SMILES | NC1=C(Br)C=C(C(O)=O)C=C1F |
| Synonyms | 4-Amino-3-bromo-5-fluorobenzoic acid,
1027512-98-6,
AK134869,
KS-00000RLI,
DTXSID30605360,
MFCD09800713,
ZINC31829462,
AKOS016842554,
DS-1981,
FCH1393388,
AJ-84393,
Benzoic acid, 4-amino-3-bromo-5-fluoro-,
AB0065276,
AX8256689,
ST2418090,
4CH-012530,
Z3815,
M-9154,
C7H5BrFNO2,
4-Amino-3-bromo-5-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
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number