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81465-88-5 | 2-Hydroxy-4-(trifluoromethyl);benzonitrile
CAS No: 81465-88-5 Catalog No: AG005KJO MDL No:MFCD13186735
Product Description
Catalog Number:
AG005KJO
Chemical Name:
2-Hydroxy-4-(trifluoromethyl);benzonitrile
CAS Number:
81465-88-5
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
MDL Number:
MFCD13186735
IUPAC Name:
2-hydroxy-4-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-5(4-12)7(13)3-6/h1-3,13H
InChI Key:
PAPVLFUKQAEGSC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1O)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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