| CAS Number | 113456-94-3 |
| Catalog Number | AG0008NH(AGN-PC-0JWBUM) |
| Chemical Name | (2-Chloro-5-nitrophenyl)(2,4-dimethylphenyl)methanone |
| IUPAC Name | (2-chloro-5-nitrophenyl)-(2,4-dimethylphenyl)methanone |
| InChI | InChI=1S/C15H12ClNO3/c1-9-3-5-12(10(2)7-9)15(18)13-8-11(17(19)20)4-6-14(13)16/h3-8H,1-2H3 |
| InChI Key | AJTGFTJTVMXHRD-UHFFFAOYSA-N |
| MDL Number | MFCD03140317 |
| Molecular Formula | C15H12ClNO3 |
| Molecular Weight | 289.7137 |
| SMILES | C1(C(Cl)=CC=C(C=1)[N+](=O)[O-])C(=O)C1=CC=C(C=C1C)C |
| Synonyms | 113456-94-3,
(2-CHLORO-5-NITROPHENYL)(2,4-DIMETHYLPHENYL)METHANONE,
CHEMBRDG-BB 6677119,
AC1LFMFS,
CTK4A8309,
DTXSID80355545,
ZINC314796,
ZX-CM016940,
MFCD03140317,
AKOS022184727,
MCULE-4085976922,
AJ-19186,
Y-0116,
(2-chloro-5-nitrophenyl)-(2,4-dimethylphenyl)methanone,
Methanone, (2-chloro-5-nitrophenyl)(2,4-dimethylphenyl)-,
CID805394,
ZINC00314796,
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| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.715g/mol |
| Monoisotopic Mass | 289.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
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