| CAS Number | 180631-67-8 |
| Catalog Number | AG00IVGV(AGN-PC-0WAVPU) |
| Chemical Name | 3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboxamide |
| IUPAC Name | 3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide |
| InChI | InChI=1S/C14H9F3N2O3/c15-14(16,17)10-4-2-5-11(8-10)18-13(20)9-3-1-6-12(7-9)19(21)22/h1-8H,(H,18,20) |
| InChI Key | UJNOYTXEORQEGS-UHFFFAOYSA-N |
| MDL Number | MFCD00033973 |
| Molecular Formula | C14H9F3N2O3 |
| Molecular Weight | 310.2281 |
| SMILES | FC(F)(F)C2(=CC(NC(=O)C1(=CC([N+](=O)[O-])=CC=C1))=CC=C2) |
| Synonyms | 3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide,
180631-67-8,
3-nitro-N-[3-(trifluoromethyl)phenyl]benzenecarboxamide,
AC1LG8SQ,
AC1Q1XXS,
ARONIS015764,
SCHEMBL17103384,
ZINC244277,
STK127560,
AKOS000504468,
7F-340S,
MCULE-2031169314,
KS-00001Z62,
EU-0034438,
ST45052450,
3-NITRO-3'-(TRIFLUOROMETHYL)BENZANILIDE,
SR-01000397447,
SR-01000397447-1,
(3-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]carboxamide,
CID767050,
ZINC00244277,
|
| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.232g/mol |
| Monoisotopic Mass | 310.057g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number