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1227602-42-7 | 4-Pyridinol, 2-chloro-6-(trifluoromethyl)-
CAS No: 1227602-42-7 Catalog No: AG000JEZ MDL No:MFCD16610509
Product Description
Catalog Number:
AG000JEZ
Chemical Name:
4-Pyridinol, 2-chloro-6-(trifluoromethyl)-
CAS Number:
1227602-42-7
Molecular Formula:
C6H3ClF3NO
Molecular Weight:
197.5423
MDL Number:
MFCD16610509
IUPAC Name:
2-chloro-6-(trifluoromethyl)-1H-pyridin-4-one
InChI:
InChI=1S/C6H3ClF3NO/c7-5-2-3(12)1-4(11-5)6(8,9)10/h1-2H,(H,11,12)
InChI Key:
IWHZJFOEGCEWAS-UHFFFAOYSA-N
SMILES:
Oc1cc(Cl)nc(c1)C(F)(F)F
Properties
Complexity:
279
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:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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