Home Nitriles 1-(4-tert-butylphenyl)cyclobutane-1-carbonitrile

1-(4-tert-butylphenyl)cyclobutane-1-carbonitrile

CAS No.:
1096856-95-9
Catalog Number:
AG01EJRX
Molecular Formula:
C15H19N
Molecular Weight:
213.3181
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Product Description
Catalog Number:
AG01EJRX
Chemical Name:
1-(4-tert-butylphenyl)cyclobutane-1-carbonitrile
CAS Number:
1096856-95-9
Molecular Formula:
C15H19N
Molecular Weight:
213.3181
MDL Number:
MFCD12410111
IUPAC Name:
1-(4-tert-butylphenyl)cyclobutane-1-carbonitrile
InChI:
InChI=1S/C15H19N/c1-14(2,3)12-5-7-13(8-6-12)15(11-16)9-4-10-15/h5-8H,4,9-10H2,1-3H3
InChI Key:
VUUXXVHKXWERRD-UHFFFAOYSA-N
SMILES:
N#CC1(CCC1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.152g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.324g/mol
Monoisotopic Mass:
213.152g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties