| CAS Number | 337973-04-3 |
| Catalog Number | AG00CLUM(AGN-PC-0NHTGM) |
| Chemical Name | 1,3-Dimethyl-5-(3-nitrophenyl)benzene |
| IUPAC Name | 1,3-dimethyl-5-(3-nitrophenyl)benzene |
| InChI | InChI=1S/C14H13NO2/c1-10-6-11(2)8-13(7-10)12-4-3-5-14(9-12)15(16)17/h3-9H,1-2H3 |
| InChI Key | ASEMEDRKYFYIOW-UHFFFAOYSA-N |
| MDL Number | MFCD21609588 |
| Molecular Formula | C14H13NO2 |
| Molecular Weight | 227.2585 |
| SMILES | Cc1cc(C)cc(c1)c1cccc(c1)[N+](=O)[O-] |
| Synonyms | 1,3-Dimethyl-5-(3-nitrophenyl)benzene,
337973-04-3,
ACMC-209i2z,
3,5-Dimethyl-3'-nitrobiphenyl,
CTK1B1534,
DTXSID70477765,
ANW-27705,
MFCD21609588,
ZINC85479289,
AKOS025295176,
1,1'-Biphenyl, 3,5-dimethyl-3'-nitro-,
TC-116450,
V5276,
B-9599,
C14H13NO2,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.263g/mol |
| Monoisotopic Mass | 227.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number