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276697-79-1 | 4H-1-Benzopyran-4-one, 2,3-dihydro-8-(trifluoromethoxy)-
CAS No: 276697-79-1 Catalog No: AG002UDL MDL No:
Product Description
Catalog Number:
AG002UDL
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-8-(trifluoromethoxy)-
CAS Number:
276697-79-1
Molecular Formula:
C10H7F3O3
Molecular Weight:
232.1560
IUPAC Name:
8-(trifluoromethoxy)-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C10H7F3O3/c11-10(12,13)16-8-3-1-2-6-7(14)4-5-15-9(6)8/h1-3H,4-5H2
InChI Key:
NVTWXGBPZHFELL-UHFFFAOYSA-N
SMILES:
O=C1CCOc2c1cccc2OC(F)(F)F
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.158g/mol
Monoisotopic Mass:
232.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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