Home Halogens 3-Cyano-5-(trifluoromethyl)phenol, 3-Cyano-5-hydroxybenzotrifluoride

3-Cyano-5-(trifluoromethyl)phenol, 3-Cyano-5-hydroxybenzotrifluoride

CAS No.:
1243459-56-4
Catalog Number:
AG009GH1
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009GH1
Chemical Name:
3-Cyano-5-(trifluoromethyl)phenol, 3-Cyano-5-hydroxybenzotrifluoride
CAS Number:
1243459-56-4
MDL Number:
MFCD16999150
IUPAC Name:
3-hydroxy-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H4F3NO/c9-8(10,11)6-1-5(4-12)2-7(13)3-6/h1-3,13H
InChI Key:
NQJQWKVZBALRHB-UHFFFAOYSA-N
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