| CAS Number | 1174006-84-8 |
| Catalog Number | AG0096CB |
| Chemical Name | (4-Bromo-2-nitrophenyl)methanamine |
| IUPAC Name | (4-bromo-2-nitrophenyl)methanamine |
| InChI | InChI=1S/C7H7BrN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H,4,9H2 |
| InChI Key | XHIHORXRWODQHL-UHFFFAOYSA-N |
| MDL Number | MFCD11113104 |
| Molecular Formula | C7H7BrN2O2 |
| Molecular Weight | 231.0467 |
| SMILES | BrC1=CC(=C(C=C1)CN)[N+](=O)[O-] |
| Synonyms | (4-bromo-2-nitrophenyl)methanamine,
4-Bromo-2-nitrobenzylamine,
1174006-84-8,
SCHEMBL961045,
AKOS027290770,
(4-Bromo-2-nitro-phenyl)-methyl-amine,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.049g/mol |
| Monoisotopic Mass | 229.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number