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15862-05-2 | 1,1'-Biphenyl, 4,5-dichloro-2-nitro-
CAS No: 15862-05-2 Catalog No: AG001QDF MDL No:
Product Description
Catalog Number:
AG001QDF
Chemical Name:
1,1'-Biphenyl, 4,5-dichloro-2-nitro-
CAS Number:
15862-05-2
Molecular Formula:
C12H7Cl2NO2
Molecular Weight:
268.0955
IUPAC Name:
1,2-dichloro-4-nitro-5-phenylbenzene
InChI:
InChI=1S/C12H7Cl2NO2/c13-10-6-9(8-4-2-1-3-5-8)12(15(16)17)7-11(10)14/h1-7H
InChI Key:
FXCLICVALFUPKU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Cl)c(cc1c1ccccc1)Cl
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.985g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.093g/mol
Monoisotopic Mass:
266.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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