Home Nitriles 2-(difluoromethyl)-6-fluorobenzonitrile

2-(difluoromethyl)-6-fluorobenzonitrile

CAS No.:
1261442-19-6
Catalog Number:
AG01BBRH
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BBRH
Chemical Name:
2-(difluoromethyl)-6-fluorobenzonitrile
CAS Number:
1261442-19-6
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
MDL Number:
MFCD18395392
IUPAC Name:
2-(difluoromethyl)-6-fluorobenzonitrile
InChI:
InChI=1S/C8H4F3N/c9-7-3-1-2-5(8(10)11)6(7)4-12/h1-3,8H
InChI Key:
WLKHYBNMZWIWGN-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)cccc1C(F)F
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.122g/mol
Monoisotopic Mass:
171.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties