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113456-94-3 | Methanone, (2-chloro-5-nitrophenyl)(2,4-dimethylphenyl)-
CAS No: 113456-94-3 Catalog No: AG0008NH MDL No:MFCD03140317
Product Description
Catalog Number:
AG0008NH
Chemical Name:
Methanone, (2-chloro-5-nitrophenyl)(2,4-dimethylphenyl)-
CAS Number:
113456-94-3
Molecular Formula:
C15H12ClNO3
Molecular Weight:
289.7137
MDL Number:
MFCD03140317
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
SMILES:
Cc1ccc(c(c1)C)C(=O)c1cc(ccc1Cl)[N+](=O)[O-]
Properties
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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