Home Other Building Blocks 3-(2-FURYL)BENZONITRILE

3-(2-FURYL)BENZONITRILE

CAS No.:
112598-77-3
Catalog Number:
AG008RQQ
Molecular Formula:
C11H7NO
Molecular Weight:
169.1794
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Product Description
Catalog Number:
AG008RQQ
Chemical Name:
3-(2-FURYL)BENZONITRILE
CAS Number:
112598-77-3
Molecular Formula:
C11H7NO
Molecular Weight:
169.1794
MDL Number:
MFCD04039075
IUPAC Name:
3-(furan-2-yl)benzonitrile
InChI:
InChI=1S/C11H7NO/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-7H
InChI Key:
BUZQKXZXWYCNJK-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccco1
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.183g/mol
Monoisotopic Mass:
169.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties