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Home > Nitro Compounds > 143726-80-1
143726-80-1 | 1,1'-Biphenyl, 3,5-bis(1,1-dimethylethyl)-4-nitro-
CAS No: 143726-80-1 Catalog No: AG001IB0 MDL No:
Product Description
Catalog Number:
AG001IB0
Chemical Name:
1,1'-Biphenyl, 3,5-bis(1,1-dimethylethyl)-4-nitro-
CAS Number:
143726-80-1
Molecular Formula:
C20H25NO2
Molecular Weight:
311.4180
IUPAC Name:
1,3-ditert-butyl-2-nitro-5-phenylbenzene
InChI:
InChI=1S/C20H25NO2/c1-19(2,3)16-12-15(14-10-8-7-9-11-14)13-17(20(4,5)6)18(16)21(22)23/h7-13H,1-6H3
InChI Key:
IPFAZYLCWVGYMZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(cc(cc1C(C)(C)C)c1ccccc1)C(C)(C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.189g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.425g/mol
Monoisotopic Mass:
311.189g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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