Home Nitriles 3-(1,1-difluoroethyl)benzonitrile

3-(1,1-difluoroethyl)benzonitrile

CAS No.:
55805-06-6
Catalog Number:
AG00DL4C
Molecular Formula:
C9H7F2N
Molecular Weight:
167.1554
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Product Description
Catalog Number:
AG00DL4C
Chemical Name:
3-(1,1-difluoroethyl)benzonitrile
CAS Number:
55805-06-6
Molecular Formula:
C9H7F2N
Molecular Weight:
167.1554
MDL Number:
MFCD27925456
IUPAC Name:
3-(1,1-difluoroethyl)benzonitrile
InChI:
InChI=1S/C9H7F2N/c1-9(10,11)8-4-2-3-7(5-8)6-12/h2-5H,1H3
InChI Key:
FVVHWXDEFWFFSD-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(F)(F)C
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.055g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.159g/mol
Monoisotopic Mass:
167.055g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties