Home Other Building Blocks 2-[CYANO(PHENYL)METHYL]-6-FLUOROBENZENECARBONITRILE

2-[CYANO(PHENYL)METHYL]-6-FLUOROBENZENECARBONITRILE

CAS No.:
338791-66-5
Catalog Number:
AG00CK31
Molecular Formula:
C15H9FN2
Molecular Weight:
236.2438
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Product Description
Catalog Number:
AG00CK31
Chemical Name:
2-[CYANO(PHENYL)METHYL]-6-FLUOROBENZENECARBONITRILE
CAS Number:
338791-66-5
Molecular Formula:
C15H9FN2
Molecular Weight:
236.2438
MDL Number:
MFCD00231973
IUPAC Name:
2-[cyano(phenyl)methyl]-6-fluorobenzonitrile
InChI:
InChI=1S/C15H9FN2/c16-15-8-4-7-12(14(15)10-18)13(9-17)11-5-2-1-3-6-11/h1-8,13H
InChI Key:
BFRVFSABWCMXEP-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1C#N)F)c1ccccc1
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.075g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.249g/mol
Monoisotopic Mass:
236.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties