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192699-50-6 | [1,1'-Biphenyl]-3-carbonitrile, 4'-(1,1-dimethylethyl)-
CAS No: 192699-50-6 Catalog No: AG002G7G MDL No:MFCD06802642
Product Description
Catalog Number:
AG002G7G
Chemical Name:
[1,1'-Biphenyl]-3-carbonitrile, 4'-(1,1-dimethylethyl)-
CAS Number:
192699-50-6
Molecular Formula:
C17H17N
Molecular Weight:
235.3236
MDL Number:
MFCD06802642
IUPAC Name:
3-(4-tert-butylphenyl)benzonitrile
InChI:
InChI=1S/C17H17N/c1-17(2,3)16-9-7-14(8-10-16)15-6-4-5-13(11-15)12-18/h4-11H,1-3H3
InChI Key:
HKVFGNZQHQXHDZ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.33g/mol
Monoisotopic Mass:
235.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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