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192699-49-3 | [1,1'-Biphenyl]-2-carbonitrile, 4'-(1,1-dimethylethyl)-
CAS No: 192699-49-3 Catalog No: AG002G7H MDL No:MFCD06802647
Product Description
Catalog Number:
AG002G7H
Chemical Name:
[1,1'-Biphenyl]-2-carbonitrile, 4'-(1,1-dimethylethyl)-
CAS Number:
192699-49-3
Molecular Formula:
C17H17N
Molecular Weight:
235.3236
MDL Number:
MFCD06802647
IUPAC Name:
2-(4-tert-butylphenyl)benzonitrile
InChI:
InChI=1S/C17H17N/c1-17(2,3)15-10-8-13(9-11-15)16-7-5-4-6-14(16)12-18/h4-11H,1-3H3
InChI Key:
HRZWFFZOFDLGMQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1ccc(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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