| CAS Number | 1365271-36-8 |
| Catalog Number | AG0011XZ(AGN-PC-0J2C6H) |
| Chemical Name | N-Methyl-3-(3-nitrophenyl)benzamide |
| IUPAC Name | N-methyl-3-(3-nitrophenyl)benzamide |
| InChI | InChI=1S/C14H12N2O3/c1-15-14(17)12-6-2-4-10(8-12)11-5-3-7-13(9-11)16(18)19/h2-9H,1H3,(H,15,17) |
| InChI Key | CPMIUCPNVICPMP-UHFFFAOYSA-N |
| MDL Number | MFCD21609612 |
| Molecular Formula | C14H12N2O3 |
| Molecular Weight | 256.2567 |
| SMILES | CNC(=O)c1cccc(c1)c1cccc(c1)[N+](=O)[O-] |
| Synonyms | 1365271-36-8,
N-Methyl-3-(3-nitrophenyl)benzamide,
N-Methyl-3'-nitro-[1,1'-biphenyl]-3-carboxamide,
ACMC-209c68,
CTK8B0479,
DTXSID40742836,
ANW-20046,
MFCD21609612,
ZINC85210091,
AJ-126418,
AX8243134,
TC-108791,
V2544,
N-Methyl-3'-nitro[1,1'-biphenyl]-3-carboxamide,
[1,1'-Biphenyl]-3-carboxamide, N-methyl-3'-nitro-,
C14H12N2O3,
B-8725,
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| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.261g/mol |
| Monoisotopic Mass | 256.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number