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1227514-31-9 | 2(1H)-Pyridinone, 5-chloro-6-(trifluoromethyl)-
CAS No: 1227514-31-9 Catalog No: AG000JAS MDL No:MFCD16610512
Product Description
Catalog Number:
AG000JAS
Chemical Name:
2(1H)-Pyridinone, 5-chloro-6-(trifluoromethyl)-
CAS Number:
1227514-31-9
Molecular Formula:
C6H3ClF3NO
Molecular Weight:
197.5423
MDL Number:
MFCD16610512
IUPAC Name:
5-chloro-6-(trifluoromethyl)-1H-pyridin-2-one
InChI:
InChI=1S/C6H3ClF3NO/c7-3-1-2-4(12)11-5(3)6(8,9)10/h1-2H,(H,11,12)
InChI Key:
KYZQVVDYMFKTCD-UHFFFAOYSA-N
SMILES:
FC(c1[nH]c(=O)ccc1Cl)(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:
4
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:
1.4
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