| CAS Number | 1154278-17-7 |
| Catalog Number | AG000FZJ(AGN-PC-06MYEA) |
| Chemical Name | Benzoic acid, 5-bromo-2-fluoro-3-nitro-, methyl ester |
| IUPAC Name | methyl 5-bromo-2-fluoro-3-nitrobenzoate |
| InChI | InChI=1S/C8H5BrFNO4/c1-15-8(12)5-2-4(9)3-6(7(5)10)11(13)14/h2-3H,1H3 |
| InChI Key | ODDWYOBMSSXDDU-UHFFFAOYSA-N |
| MDL Number | MFCD12172992 |
| Molecular Formula | C8H5BrFNO4 |
| Molecular Weight | 278.0320 |
| SMILES | BrC=1C=C(C(=C(C(=O)OC)C1)F)[N+](=O)[O-] |
| Synonyms | Methyl 5-bromo-2-fluoro-3-nitrobenzoate,
1154278-17-7,
ACMC-2099q5,
SCHEMBL16935287,
CTK8A9295,
DTXSID70656053,
ANW-16875,
MFCD12172992,
ZINC35333522,
AKOS009485783,
AJ-91325,
AK108159,
TC-105620,
Z7706,
B-9276,
Benzoic acid, 5-bromo-2-fluoro-3-nitro-, methyl ester,
C8H5BrFNO4,
Methyl5-bromo-2-fluoro-3-nitrobenzoate,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.033g/mol |
| Monoisotopic Mass | 276.939g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number