Home Nitriles 4-(Difluoromethoxy)-2-fluorobenzonitrile

4-(Difluoromethoxy)-2-fluorobenzonitrile

CAS No.:
1017779-49-5
Catalog Number:
AG00VRP7
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
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Product Description
Catalog Number:
AG00VRP7
Chemical Name:
4-(Difluoromethoxy)-2-fluorobenzonitrile
CAS Number:
1017779-49-5
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
MDL Number:
MFCD09832366
IUPAC Name:
4-(difluoromethoxy)-2-fluorobenzonitrile
InChI:
InChI=1S/C8H4F3NO/c9-7-3-6(13-8(10)11)2-1-5(7)4-12/h1-3,8H
InChI Key:
OERIHGQAGTVWPN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1F)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