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119179-66-7 | 2H-1-Benzopyran-2-one, 6-chloro-7-hydroxy-4-(trifluoromethyl)-
CAS No: 119179-66-7 Catalog No: AG000IAL MDL No:MFCD00068095
Product Description
Catalog Number:
AG000IAL
Chemical Name:
2H-1-Benzopyran-2-one, 6-chloro-7-hydroxy-4-(trifluoromethyl)-
CAS Number:
119179-66-7
Molecular Formula:
C10H4ClF3O3
Molecular Weight:
264.5852
MDL Number:
MFCD00068095
IUPAC Name:
6-chloro-7-hydroxy-4-(trifluoromethyl)chromen-2-one
InChI:
InChI=1S/C10H4ClF3O3/c11-6-1-4-5(10(12,13)14)2-9(16)17-8(4)3-7(6)15/h1-3,15H
InChI Key:
AJOANILONFCHFL-UHFFFAOYSA-N
SMILES:
O=c1oc2cc(O)c(cc2c(c1)C(F)(F)F)Cl
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.98g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.584g/mol
Monoisotopic Mass:
263.98g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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