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Home > Fluorides > 898778-82-0
898778-82-0 | 2-(3,4-DIFLUOROBENZOYL)-5-(1,3-DIOXOLAN-2-YL)THIOPHENE
CAS No: 898778-82-0 Catalog No: AG006JKK MDL No:
Product Description
Catalog Number:
AG006JKK
Chemical Name:
2-(3,4-DIFLUOROBENZOYL)-5-(1,3-DIOXOLAN-2-YL)THIOPHENE
CAS Number:
898778-82-0
Molecular Formula:
C14H10F2O3S
Molecular Weight:
296.2892
IUPAC Name:
(3,4-difluorophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
InChI:
InChI=1S/C14H10F2O3S/c15-9-2-1-8(7-10(9)16)13(17)11-3-4-12(20-11)14-18-5-6-19-14/h1-4,7,14H,5-6H2
InChI Key:
MOKRHQKRLMMDDM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)F)F)c1ccc(s1)C1OCCO1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.032g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.288g/mol
Monoisotopic Mass:
296.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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