Home Nitriles 4-(1,1-Difluoroethyl)benzonitrile

4-(1,1-Difluoroethyl)benzonitrile

CAS No.:
55805-05-5
Catalog Number:
AG00DJMP
Molecular Formula:
C9H7F2N
Molecular Weight:
167.1554
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00DJMP
Chemical Name:
4-(1,1-Difluoroethyl)benzonitrile
CAS Number:
55805-05-5
Molecular Formula:
C9H7F2N
Molecular Weight:
167.1554
MDL Number:
MFCD17015609
IUPAC Name:
4-(1,1-difluoroethyl)benzonitrile
InChI:
InChI=1S/C9H7F2N/c1-9(10,11)8-4-2-7(6-12)3-5-8/h2-5H,1H3
InChI Key:
UNMRXWBCQGIBQE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(F)(F)C
Properties
Complexity:
196  
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:
2.8  
Properties