Home Other Building Blocks 1-(4-TERT-BUTYLPHENYL)CYCLOPROPANE-1-CARBONITRILE

1-(4-TERT-BUTYLPHENYL)CYCLOPROPANE-1-CARBONITRILE

CAS No.:
1096317-25-7
Catalog Number:
AG01EJRO
Molecular Formula:
C14H17N
Molecular Weight:
199.2915
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Product Description
Catalog Number:
AG01EJRO
Chemical Name:
1-(4-TERT-BUTYLPHENYL)CYCLOPROPANE-1-CARBONITRILE
CAS Number:
1096317-25-7
Molecular Formula:
C14H17N
Molecular Weight:
199.2915
MDL Number:
MFCD12410112
IUPAC Name:
1-(4-tert-butylphenyl)cyclopropane-1-carbonitrile
InChI:
InChI=1S/C14H17N/c1-13(2,3)11-4-6-12(7-5-11)14(10-15)8-9-14/h4-7H,8-9H2,1-3H3
InChI Key:
UFSMLMMZMPISPQ-UHFFFAOYSA-N
SMILES:
N#CC1(CC1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.136g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.297g/mol
Monoisotopic Mass:
199.136g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties