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116453-31-7 | 1,1'-Biphenyl, 2,3,4,4',5-pentachloro-2'-nitro-
CAS No: 116453-31-7 Catalog No: AG000CJ8 MDL No:
Product Description
Catalog Number:
AG000CJ8
Chemical Name:
1,1'-Biphenyl, 2,3,4,4',5-pentachloro-2'-nitro-
CAS Number:
116453-31-7
Molecular Formula:
C12H4Cl5NO2
Molecular Weight:
371.4307
IUPAC Name:
1,2,3,4-tetrachloro-5-(4-chloro-2-nitrophenyl)benzene
InChI:
InChI=1S/C12H4Cl5NO2/c13-5-1-2-6(9(3-5)18(19)20)7-4-8(14)11(16)12(17)10(7)15/h1-4H
InChI Key:
VFWWVRDDFPIWRQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)[N+](=O)[O-])c1cc(Cl)c(c(c1Cl)Cl)Cl
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.866g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.419g/mol
Monoisotopic Mass:
368.868g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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