| CAS Number | 18542-98-8 |
| Catalog Number | AG01FR5R(AGN-PC-0NJ0U9) |
| Chemical Name | 4-Fluoro-N,N-dimethyl-3-nitroaniline |
| IUPAC Name | 4-fluoro-N,N-dimethyl-3-nitroaniline |
| InChI | InChI=1S/C8H9FN2O2/c1-10(2)6-3-4-7(9)8(5-6)11(12)13/h3-5H,1-2H3 |
| InChI Key | OMHCRMSZWANSHP-UHFFFAOYSA-N |
| MDL Number | MFCD25960351 |
| Molecular Formula | C8H9FN2O2 |
| Molecular Weight | 184.1677 |
| SMILES | O=[N+](C1=CC(N(C)C)=CC=C1F)[O-] |
| Synonyms | 18542-98-8,
4-Fluoro-N,N-dimethyl-3-nitroaniline,
(4-fluoro-3-nitro-phenyl)-dimethyl-amine,
SCHEMBL3878871,
OMHCRMSZWANSHP-UHFFFAOYSA-N,
N,N-Dimethyl-3-nitro-4-fluoroaniline,
(4-fluoro-3-nitrophenyl)-dimethylamine,
AK00779606,
4-fluoro-N,N-dimethyl-3-nitrobenzenamine,
Benzenamine, 4-fluoro-N,N-dimethyl-3-nitro-,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.064806g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.17g/mol |
| Monoisotopic Mass | 184.064806g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number