| CAS Number | 1214323-50-8 |
| Catalog Number | AG007Q86(AGN-PC-0AC0V5) |
| Chemical Name | 3-Nitro-4-(trifluoromethoxy)benzamide |
| IUPAC Name | 3-nitro-4-(trifluoromethoxy)benzamide |
| InChI | InChI=1S/C8H5F3N2O4/c9-8(10,11)17-6-2-1-4(7(12)14)3-5(6)13(15)16/h1-3H,(H2,12,14) |
| InChI Key | TZLVPZHDZLCXKW-UHFFFAOYSA-N |
| MDL Number | MFCD13185754 |
| Molecular Formula | C8H5F3N2O4 |
| Molecular Weight | 250.1315 |
| SMILES | [O-][N+](=O)c1cc(ccc1OC(F)(F)F)C(=O)N |
| Synonyms | 3-Nitro-4-(trifluoromethoxy)benzamide,
1214323-50-8,
ACMC-209aa7,
SCHEMBL6112698,
CTK8A9444,
DTXSID30716480,
TZLVPZHDZLCXKW-UHFFFAOYSA-N,
3-Nitro-4-trifluoromethoxy-benzamide,
ANW-17597,
MFCD13185754,
ZINC85471903,
AKOS015888264,
DA-47165,
TC-106342,
FT-0745022,
Z8301,
B-6641,
I01-10551,
C8H5F3N2O4,
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| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.133g/mol |
| Monoisotopic Mass | 250.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 98.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number