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Home > Other Heterocycles > 2060059-54-1
2060059-54-1 | 3-{3-azabicyclo[3.2.0]heptan-6-yl}benzonitrile
CAS No: 2060059-54-1 Catalog No: AG01BZQD MDL No:MFCD30488844
Product Description
Catalog Number:
AG01BZQD
Chemical Name:
3-{3-azabicyclo[3.2.0]heptan-6-yl}benzonitrile
CAS Number:
2060059-54-1
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
MDL Number:
MFCD30488844
IUPAC Name:
3-(3-azabicyclo[3.2.0]heptan-6-yl)benzonitrile
InChI:
InChI=1S/C13H14N2/c14-6-9-2-1-3-10(4-9)12-5-11-7-15-8-13(11)12/h1-4,11-13,15H,5,7-8H2
InChI Key:
UKVXMGVJSKOPDX-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C1CC2C1CNC2
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.269g/mol
Monoisotopic Mass:
198.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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