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113456-95-4 | Methanone, (2-chloro-5-nitrophenyl)(3,4-dichlorophenyl)-
CAS No: 113456-95-4 Catalog No: AG0008NG MDL No:
Product Description
Catalog Number:
AG0008NG
Chemical Name:
Methanone, (2-chloro-5-nitrophenyl)(3,4-dichlorophenyl)-
CAS Number:
113456-95-4
Molecular Formula:
C13H6Cl3NO3
Molecular Weight:
330.5506
IUPAC Name:
(2-chloro-5-nitrophenyl)-(3,4-dichlorophenyl)methanone
InChI:
InChI=1S/C13H6Cl3NO3/c14-10-4-2-8(17(19)20)6-9(10)13(18)7-1-3-11(15)12(16)5-7/h1-6H
InChI Key:
YKXYUXFCGFBVKX-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1C(=O)c1ccc(c(c1)Cl)Cl)[N+](=O)[O-]
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.941g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.545g/mol
Monoisotopic Mass:
328.941g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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