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Home > Fluorides > 124811-71-8
124811-71-8 | Benzonitrile, 4-hydroxy-3-(trifluoromethyl)-
CAS No: 124811-71-8 Catalog No: AG000MRK MDL No:MFCD06797882
Product Description
Catalog Number:
AG000MRK
Chemical Name:
Benzonitrile, 4-hydroxy-3-(trifluoromethyl)-
CAS Number:
124811-71-8
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
MDL Number:
MFCD06797882
IUPAC Name:
4-hydroxy-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H4F3NO/c9-8(10,11)6-3-5(4-12)1-2-7(6)13/h1-3,13H
InChI Key:
QXIFYONUKBXFTH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(F)(F)F)O
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
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