| CAS Number | 455-58-3 |
| Catalog Number | AG00DG4J(AGN-PC-000ZOC) |
| Chemical Name | 2-Bromo-6-fluoro-4-nitroaniline |
| IUPAC Name | 2-bromo-6-fluoro-4-nitroaniline |
| InChI | InChI=1S/C6H4BrFN2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2 |
| InChI Key | YAQFGXYPGJATMT-UHFFFAOYSA-N |
| MDL Number | MFCD09800780 |
| Molecular Formula | C6H4BrFN2O2 |
| Molecular Weight | 235.0106 |
| SMILES | NC1=C(F)C=C([N+]([O-])=O)C=C1Br |
| Synonyms | 2-Bromo-6-fluoro-4-nitroaniline,
455-58-3,
ACMC-209k3c,
SCHEMBL1464693,
CTK8B1715,
DTXSID70558689,
YAQFGXYPGJATMT-UHFFFAOYSA-N,
ANW-30310,
MFCD09800780,
ZINC15443765,
2-bromo-6-fluoro-4-nitro-phenylamine,
AKOS024438738,
AS-47350,
Benzenamine, 2-bromo-6-fluoro-4-nitro-,
CJ-15144,
TC-119055,
V6032,
B-8368,
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 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number