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Home > Fluorides > 933673-31-5
933673-31-5 | 6-Nitro-4-trifluoromethyl-benzo[1,3]dioxol-2-one
CAS No: 933673-31-5 Catalog No: AG01EZC5 MDL No:
Product Description
Catalog Number:
AG01EZC5
Chemical Name:
6-Nitro-4-trifluoromethyl-benzo[1,3]dioxol-2-one
CAS Number:
933673-31-5
Molecular Formula:
C8H2F3NO5
Molecular Weight:
249.1004
IUPAC Name:
6-nitro-4-(trifluoromethyl)-1,3-benzodioxol-2-one
InChI:
InChI=1S/C8H2F3NO5/c9-8(10,11)4-1-3(12(14)15)2-5-6(4)17-7(13)16-5/h1-2H
InChI Key:
HUSBXTVEARGMKA-UHFFFAOYSA-N
SMILES:
O=c1oc2c(o1)cc(cc2C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.989g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.101g/mol
Monoisotopic Mass:
248.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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