Home Nitriles Benzonitrile, 4-(difluoromethoxy)-3-hydroxy-

Benzonitrile, 4-(difluoromethoxy)-3-hydroxy-

CAS No.:
1261823-17-9
Catalog Number:
AG000S0S
Molecular Formula:
C8H5F2NO2
Molecular Weight:
185.1276
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Product Description
Catalog Number:
AG000S0S
Chemical Name:
Benzonitrile, 4-(difluoromethoxy)-3-hydroxy-
CAS Number:
1261823-17-9
Molecular Formula:
C8H5F2NO2
Molecular Weight:
185.1276
MDL Number:
MFCD18393963
IUPAC Name:
4-(difluoromethoxy)-3-hydroxybenzonitrile
InChI:
InChI=1S/C8H5F2NO2/c9-8(10)13-7-2-1-5(4-11)3-6(7)12/h1-3,8,12H
InChI Key:
ZREGIZMEBAIGDC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)O)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:
185.029g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.13g/mol
Monoisotopic Mass:
185.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties