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Home > Fluorides > 142167-36-0
142167-36-0 | Benzonitrile, 2-hydroxy-5-(trifluoromethyl)-
CAS No: 142167-36-0 Catalog No: AG001HVG MDL No:MFCD11213679
Product Description
Catalog Number:
AG001HVG
Chemical Name:
Benzonitrile, 2-hydroxy-5-(trifluoromethyl)-
CAS Number:
142167-36-0
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
MDL Number:
MFCD11213679
IUPAC Name:
2-hydroxy-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H4F3NO/c9-8(10,11)6-1-2-7(13)5(3-6)4-12/h1-3,13H
InChI Key:
FGLWZZOKMAMVSE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1O)C(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:
2.7
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