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Home > Fluorides > 933674-87-4
933674-87-4 | 5-(trifluoromethyl)-1,3-benzodioxol-2-one
CAS No: 933674-87-4 Catalog No: AG01EZCM MDL No:
Product Description
Catalog Number:
AG01EZCM
Chemical Name:
5-(trifluoromethyl)-1,3-benzodioxol-2-one
CAS Number:
933674-87-4
Molecular Formula:
C8H3F3O3
Molecular Weight:
204.1028
IUPAC Name:
5-(trifluoromethyl)-1,3-benzodioxol-2-one
InChI:
InChI=1S/C8H3F3O3/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H
InChI Key:
DSIYBEATTIFPBC-UHFFFAOYSA-N
SMILES:
O=c1oc2c(o1)cc(cc2)C(F)(F)F
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.003g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.104g/mol
Monoisotopic Mass:
204.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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