Home Halogens 3-Cyano-alpha,alpha-difluorotoluene, 3-Cyanobenzal fluoride

3-Cyano-alpha,alpha-difluorotoluene, 3-Cyanobenzal fluoride

CAS No.:
55805-13-5
Catalog Number:
AG00E6B9
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00E6B9
Chemical Name:
3-Cyano-alpha,alpha-difluorotoluene, 3-Cyanobenzal fluoride
CAS Number:
55805-13-5
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
IUPAC Name:
3-(difluoromethyl)benzonitrile
InChI:
InChI=1S/C8H5F2N/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,8H
InChI Key:
IIIPGVXKHUPPJQ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(F)F
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.039g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.132g/mol
Monoisotopic Mass:
153.039g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties