| CAS Number | 1345471-86-4 |
| Catalog Number | AG009WLO |
| Chemical Name | 3-Bromo-4-fluoro-5-nitrobenzamide |
| IUPAC Name | 3-bromo-4-fluoro-5-nitrobenzamide |
| InChI | InChI=1S/C7H4BrFN2O3/c8-4-1-3(7(10)12)2-5(6(4)9)11(13)14/h1-2H,(H2,10,12) |
| InChI Key | ZZLBLAZKHBROQT-UHFFFAOYSA-N |
| MDL Number | MFCD20441786 |
| Molecular Formula | C7H4BrFN2O3 |
| Molecular Weight | 263.0207 |
| SMILES | O=C(N)C1=CC([N+]([O-])=O)=C(F)C(Br)=C1 |
| Synonyms | 3-Bromo-4-fluoro-5-nitrobenzamide,
1345471-86-4,
ACMC-209bvp,
C7H4BrFN2O3,
SCHEMBL19436437,
CTK8B0248,
DTXSID50718325,
ANW-19667,
MFCD20441786,
ZINC74937736,
AKOS025294342,
CJ-21751,
TC-108412,
Z9793,
B-9274,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.022g/mol |
| Monoisotopic Mass | 261.939g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number