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89727-56-0 | 1,1'-Biphenyl, 4-(1-chloro-2,2-dimethylpropyl)-4'-nitro-
CAS No: 89727-56-0 Catalog No: AG004299 MDL No:
Product Description
Catalog Number:
AG004299
Chemical Name:
1,1'-Biphenyl, 4-(1-chloro-2,2-dimethylpropyl)-4'-nitro-
CAS Number:
89727-56-0
Molecular Formula:
C17H18ClNO2
Molecular Weight:
303.7833
IUPAC Name:
1-(1-chloro-2,2-dimethylpropyl)-4-(4-nitrophenyl)benzene
InChI:
InChI=1S/C17H18ClNO2/c1-17(2,3)16(18)14-6-4-12(5-7-14)13-8-10-15(11-9-13)19(20)21/h4-11,16H,1-3H3
InChI Key:
KPANGKMTHASDDZ-UHFFFAOYSA-N
SMILES:
ClC(C(C)(C)C)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.786g/mol
Monoisotopic Mass:
303.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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