| CAS Number | 1218764-80-7 |
| Catalog Number | AG00166P(AGN-PC-02D8GM) |
| Chemical Name | Benzenamine, 2-bromo-3-fluoro-6-nitro- |
| IUPAC Name | 2-bromo-3-fluoro-6-nitroaniline |
| InChI | InChI=1S/C6H4BrFN2O2/c7-5-3(8)1-2-4(6(5)9)10(11)12/h1-2H,9H2 |
| InChI Key | WSVLWVONLAQTJC-UHFFFAOYSA-N |
| MDL Number | MFCD18071077 |
| Molecular Formula | C6H4BrFN2O2 |
| Molecular Weight | 235.0106 |
| SMILES | NC1=C([N+]([O-])=O)C=CC(F)=C1Br |
| Synonyms | 2-Bromo-3-fluoro-6-nitroaniline,
1218764-80-7,
2-Bromo-3-fluoro-6-nitro-phenylamine,
SCHEMBL3345953,
DTXSID00598750,
WSVLWVONLAQTJC-UHFFFAOYSA-N,
1596AJ,
MFCD18071077,
ZINC63767587,
2-Amino-3-bromo-4-fluoronitrobenzene,
AKOS024260845,
NE63360,
2-Bromo-3-fluoro-6-nitroaniline 97%,
Benzenamine, 2-bromo-3-fluoro-6-nitro-,
PS-10597,
AJ-114422,
2-Bromo-3-fluoro-6-nitro-phenylamine, AldrichCPR,
C6H4BrFN2O2,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.012g/mol |
| Monoisotopic Mass | 233.944g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^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