| CAS Number | 883028-23-7 |
| Catalog Number | AG00IF1F(AGN-PC-0WNGJQ) |
| Chemical Name | N-(4-Methyl-3-nitrophenyl)-4-(trifluoromethyl)benzamide |
| IUPAC Name | N-(4-methyl-3-nitrophenyl)-4-(trifluoromethyl)benzamide |
| InChI | InChI=1S/C15H11F3N2O3/c1-9-2-7-12(8-13(9)20(22)23)19-14(21)10-3-5-11(6-4-10)15(16,17)18/h2-8H,1H3,(H,19,21) |
| InChI Key | BYPUIHMPVYJHKV-UHFFFAOYSA-N |
| MDL Number | MFCD00176416 |
| Molecular Formula | C15H11F3N2O3 |
| Molecular Weight | 324.2546 |
| SMILES | O=C(NC1=CC=C(C)C([N+]([O-])=O)=C1)C2=CC=C(C(F)(F)F)C=C2 |
| Synonyms | N-(4-methyl-3-nitrophenyl)-4-(trifluoromethyl)benzamide,
883028-23-7,
AC1MBWOH,
ZINC101358,
KS-00000U3Z,
MFCD00176416,
AKOS008577374,
MCULE-6890179406,
AK608038,
DS-19807,
ZINC00101358,
CID2732473,
|
| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.259g/mol |
| Monoisotopic Mass | 324.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number