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174013-28-6 | 2H-1-Benzopyran-2-one, 4-chloro-6-(trifluoromethoxy)-
CAS No: 174013-28-6 Catalog No: AG001ZEJ MDL No:
Product Description
Catalog Number:
AG001ZEJ
Chemical Name:
2H-1-Benzopyran-2-one, 4-chloro-6-(trifluoromethoxy)-
CAS Number:
174013-28-6
Molecular Formula:
C10H4ClF3O3
Molecular Weight:
264.5852
IUPAC Name:
4-chloro-6-(trifluoromethoxy)chromen-2-one
InChI:
InChI=1S/C10H4ClF3O3/c11-7-4-9(15)16-8-2-1-5(3-6(7)8)17-10(12,13)14/h1-4H
InChI Key:
GPGKFQKVRFYHMH-UHFFFAOYSA-N
SMILES:
O=c1cc(Cl)c2c(o1)ccc(c2)OC(F)(F)F
Properties
Complexity:
353
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:
0
Isotope Atom Count:
0
Molecular Weight:
264.584g/mol
Monoisotopic Mass:
263.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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