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Home > Fluorides > 1190320-90-1
1190320-90-1 | 2(3H)-Benzothiazolone, 6-fluoro-4-nitro-
CAS No: 1190320-90-1 Catalog No: AG000HYA MDL No:
Product Description
Catalog Number:
AG000HYA
Chemical Name:
2(3H)-Benzothiazolone, 6-fluoro-4-nitro-
CAS Number:
1190320-90-1
Molecular Formula:
C7H3FN2O3S
Molecular Weight:
214.1737
IUPAC Name:
6-fluoro-4-nitro-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C7H3FN2O3S/c8-3-1-4(10(12)13)6-5(2-3)14-7(11)9-6/h1-2H,(H,9,11)
InChI Key:
PJKVTEYKDDZUJN-UHFFFAOYSA-N
SMILES:
Fc1cc2sc(=O)[nH]c2c(c1)[N+](=O)[O-]
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.985g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.17g/mol
Monoisotopic Mass:
213.985g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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