| CAS Number | 131780-92-2 |
| Catalog Number | AG009ZMA(AGN-PC-0WRAEA) |
| Chemical Name | (5-Fluoro-2-nitrophenyl)methanamine |
| IUPAC Name | (5-fluoro-2-nitrophenyl)methanamine |
| InChI | InChI=1S/C7H7FN2O2/c8-6-1-2-7(10(11)12)5(3-6)4-9/h1-3H,4,9H2 |
| InChI Key | JVHBZLBJDNVILA-UHFFFAOYSA-N |
| MDL Number | MFCD06212994 |
| Molecular Formula | C7H7FN2O2 |
| Molecular Weight | 170.1411 |
| SMILES | NCC1=C([N+]([O-])=O)C=CC(F)=C1 |
| Synonyms | (5-fluoro-2-nitrophenyl)methanamine,
131780-92-2,
5-fluoro-2-nitrobenzylamine,
SCHEMBL2891144,
JVHBZLBJDNVILA-UHFFFAOYSA-N,
(5-fluro-2-nitrophenyl)methylamine,
(5-fluoro-2-nitrophenyl)methylamine,
ZINC96301092,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.143g/mol |
| Monoisotopic Mass | 170.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number