| CAS Number | 16588-25-3 |
| Catalog Number | AG00AQJ9(AGN-PC-0NJ1H2) |
| Chemical Name | 4-Bromo-2-nitro-N-phenylaniline |
| IUPAC Name | 4-bromo-2-nitro-N-phenylaniline |
| InChI | InChI=1S/C12H9BrN2O2/c13-9-6-7-11(12(8-9)15(16)17)14-10-4-2-1-3-5-10/h1-8,14H |
| InChI Key | YYBRRJVPEFDOOE-UHFFFAOYSA-N |
| MDL Number | MFCD18579563 |
| Molecular Formula | C12H9BrN2O2 |
| Molecular Weight | 293.1161 |
| SMILES | BrC1=CC(=C(C=C1)NC1=CC=CC=C1)[N+](=O)[O-] |
| Synonyms | 4-Bromo-2-nitro-N-phenylaniline,
16588-25-3,
4-BROMO-2-NITRO-N-PHENYL-ANILINE,
4-bromo-2-nitro-N-phenylBenzenamine,
SCHEMBL337857,
DTXSID50499122,
YYBRRJVPEFDOOE-UHFFFAOYSA-N,
MFCD18579563,
ZINC39232970,
AKOS012771757,
(4-Bromo-2-nitro-phenyl)-phenyl-amine,
Benzenamine, 4-bromo-2-nitro-N-phenyl-,
CJ-19865,
DA-09522,
FT-0759442,
V3672,
C12H9BrN2O2,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.12g/mol |
| Monoisotopic Mass | 291.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
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