Home Nitriles 4-(difluoromethoxy)-3-fluorobenzonitrile

4-(difluoromethoxy)-3-fluorobenzonitrile

CAS No.:
954388-59-1
Catalog Number:
AG01DI7B
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
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Product Description
Catalog Number:
AG01DI7B
Chemical Name:
4-(difluoromethoxy)-3-fluorobenzonitrile
CAS Number:
954388-59-1
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
MDL Number:
MFCD18394957
IUPAC Name:
4-(difluoromethoxy)-3-fluorobenzonitrile
InChI:
InChI=1S/C8H4F3NO/c9-6-3-5(4-12)1-2-7(6)13-8(10)11/h1-3,8H
InChI Key:
FZWSJWLBGNEBBD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)OC(F)F
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.024g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.121g/mol
Monoisotopic Mass:
187.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties