| CAS Number | 1036389-83-9 |
| Catalog Number | AG008W9L(AGN-PC-02KN37) |
| Chemical Name | 2-BroMo-4-fluoro-5-nitrobenzoic Acid |
| IUPAC Name | 2-bromo-4-fluoro-5-nitrobenzoic acid |
| InChI | InChI=1S/C7H3BrFNO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2H,(H,11,12) |
| InChI Key | APETYHSLTIVOQX-UHFFFAOYSA-N |
| MDL Number | MFCD11847619 |
| Molecular Formula | C7H3BrFNO4 |
| Molecular Weight | 264.0054 |
| SMILES | C(=O)(O)c1cc(N(=O)=O)c(cc1Br)F |
| Synonyms | 2-bromo-4-fluoro-5-nitrobenzoic acid,
1036389-83-9,
AC1Q721R,
SCHEMBL8163976,
MFCD11847619,
ZINC35333685,
AKOS009486628,
CS-W006521,
DS-8506,
MCULE-8745153757,
NE46984,
2-Bromo-4-fluoro-5-nitro-benzoic acid,
AJ-91335,
AK146346,
SC-33474,
EN300-64501,
Z1259161853,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.923g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.006g/mol |
| Monoisotopic Mass | 262.923g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number