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1196153-98-6 | 3-Pyridinol, 2-chloro-5-(trifluoromethyl)-
CAS No: 1196153-98-6 Catalog No: AG000PCC MDL No:MFCD13189916
Product Description
Catalog Number:
AG000PCC
Chemical Name:
3-Pyridinol, 2-chloro-5-(trifluoromethyl)-
CAS Number:
1196153-98-6
Molecular Formula:
C6H3ClF3NO
Molecular Weight:
197.5423
MDL Number:
MFCD13189916
IUPAC Name:
2-chloro-5-(trifluoromethyl)pyridin-3-ol
InChI:
InChI=1S/C6H3ClF3NO/c7-5-4(12)1-3(2-11-5)6(8,9)10/h1-2,12H
InChI Key:
FKCDGTROGJFCOT-UHFFFAOYSA-N
SMILES:
Clc1ncc(cc1O)C(F)(F)F
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.986g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.541g/mol
Monoisotopic Mass:
196.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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