| CAS Number | 1355247-82-3 |
| Catalog Number | AG006YUL(AGN-PC-0J2C53) |
| Chemical Name | 2-Chloro-4-methyl-1-(3-nitrophenyl)benzene |
| IUPAC Name | 2-chloro-4-methyl-1-(3-nitrophenyl)benzene |
| InChI | InChI=1S/C13H10ClNO2/c1-9-5-6-12(13(14)7-9)10-3-2-4-11(8-10)15(16)17/h2-8H,1H3 |
| InChI Key | AZKCSLHFFDCVBQ-UHFFFAOYSA-N |
| MDL Number | MFCD21332973 |
| Molecular Formula | C13H10ClNO2 |
| Molecular Weight | 247.6770 |
| SMILES | Cc1ccc(c(c1)Cl)c1cccc(c1)[N+](=O)[O-] |
| Synonyms | 2-Chloro-4-methyl-1-(3-nitrophenyl)benzene,
1355247-82-3,
ACMC-209c2k,
CTK8B0409,
DTXSID10742787,
ANW-19914,
MFCD21332973,
ZINC85476921,
TC-108659,
2-Chloro-4-methyl-3'-nitro-1,1'-biphenyl,
Z9995,
B-8536,
C13H10ClNO2,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.678g/mol |
| Monoisotopic Mass | 247.04g/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
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Certificate of Analysis
Lot Number