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115279-73-7 | Cyclopentanecarbonitrile, 1-(4-aminophenyl)-
CAS No: 115279-73-7 Catalog No: AG000GJR MDL No:MFCD00807534
Product Description
Catalog Number:
AG000GJR
Chemical Name:
Cyclopentanecarbonitrile, 1-(4-aminophenyl)-
CAS Number:
115279-73-7
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD00807534
IUPAC Name:
1-(4-aminophenyl)cyclopentane-1-carbonitrile
InChI:
InChI=1S/C12H14N2/c13-9-12(7-1-2-8-12)10-3-5-11(14)6-4-10/h3-6H,1-2,7-8,14H2
InChI Key:
GIBAIULVBOBDED-UHFFFAOYSA-N
SMILES:
N#CC1(CCCC1)c1ccc(cc1)N
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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