Home Nitriles 5-hydroxy-2-(trifluoromethyl)benzonitrile

5-hydroxy-2-(trifluoromethyl)benzonitrile

CAS No.:
731002-49-6
Catalog Number:
AG01AD5L
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
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Product Description
Catalog Number:
AG01AD5L
Chemical Name:
5-hydroxy-2-(trifluoromethyl)benzonitrile
CAS Number:
731002-49-6
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
MDL Number:
MFCD15146826
IUPAC Name:
5-hydroxy-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H4F3NO/c9-8(10,11)7-2-1-6(13)3-5(7)4-12/h1-3,13H
InChI Key:
SEJXZAMRJHXMIT-UHFFFAOYSA-N
SMILES:
N#Cc1cc(O)ccc1C(F)(F)F
Properties
Complexity:
229  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
187.121g/mol
Monoisotopic Mass:
187.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties