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859940-64-0 | 3,5-Dichloro-3'-nitro-1,1'-biphenyl
CAS No: 859940-64-0 Catalog No: AG004Q2R MDL No:MFCD21332977
Product Description
Catalog Number:
AG004Q2R
Chemical Name:
3,5-Dichloro-3'-nitro-1,1'-biphenyl
CAS Number:
859940-64-0
Molecular Formula:
C12H7Cl2NO2
Molecular Weight:
268.0955
MDL Number:
MFCD21332977
IUPAC Name:
1,3-dichloro-5-(3-nitrophenyl)benzene
InChI:
InChI=1S/C12H7Cl2NO2/c13-10-4-9(5-11(14)7-10)8-2-1-3-12(6-8)15(16)17/h1-7H
InChI Key:
XTBNXSKCTLZMHG-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)cc(c1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
272
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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