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Home > Fluorides > 1227594-89-9
1227594-89-9 | 2(1H)-Pyridinone, 3-fluoro-4-(trifluoromethyl)-
CAS No: 1227594-89-9 Catalog No: AG000JD6 MDL No:MFCD16611126
Product Description
Catalog Number:
AG000JD6
Chemical Name:
2(1H)-Pyridinone, 3-fluoro-4-(trifluoromethyl)-
CAS Number:
1227594-89-9
Molecular Formula:
C6H3F4NO
Molecular Weight:
181.0877
MDL Number:
MFCD16611126
IUPAC Name:
3-fluoro-4-(trifluoromethyl)-1H-pyridin-2-one
InChI:
InChI=1S/C6H3F4NO/c7-4-3(6(8,9)10)1-2-11-5(4)12/h1-2H,(H,11,12)
InChI Key:
CUVQCPUTFJFSFU-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccc(c1F)C(F)(F)F
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.09g/mol
Monoisotopic Mass:
181.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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