| CAS Number | 13480-38-1 |
| Catalog Number | AG009YLJ(AGN-PC-0N9Y33) |
| Chemical Name | 2-Methyl-5-nitrobiphenyl |
| IUPAC Name | 1-methyl-4-nitro-2-phenylbenzene |
| InChI | InChI=1S/C13H11NO2/c1-10-7-8-12(14(15)16)9-13(10)11-5-3-2-4-6-11/h2-9H,1H3 |
| InChI Key | URKOXRGLMICDRL-UHFFFAOYSA-N |
| MDL Number | MFCD02179253 |
| Molecular Formula | C13H11NO2 |
| Molecular Weight | 213.2319 |
| SMILES | c1(ccc(c(c1)c1ccccc1)C)[N+](=O)[O-] |
| Synonyms | 2-METHYL-5-NITROBIPHENYL,
13480-38-1,
4-Nitro-2-phenyltoluene,
2-methyl-5-nitro-1,1'-biphenyl,
1-methyl-4-nitro-2-phenylbenzene,
SCHEMBL629839,
CTK6B9530,
URKOXRGLMICDRL-UHFFFAOYSA-N,
ZINC2391835,
MFCD02179253,
2-METHYL-5-NITRO-1,1-BIPHENYL,
CS-0061171,
Z0123,
Q-7551,
C13H11NO2,
1-methyl-4-nitro-2-phenyl-benzene,
CID10751083,
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| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.236g/mol |
| Monoisotopic Mass | 213.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number