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Home > Nitro Compounds > 143922-93-4
143922-93-4 | 4H-1-Benzothiopyran-4-one, 3-nitro-
CAS No: 143922-93-4 Catalog No: AG001IMG MDL No:
Product Description
Catalog Number:
AG001IMG
Chemical Name:
4H-1-Benzothiopyran-4-one, 3-nitro-
CAS Number:
143922-93-4
Molecular Formula:
C9H5NO3S
Molecular Weight:
207.2059
IUPAC Name:
3-nitrothiochromen-4-one
InChI:
InChI=1S/C9H5NO3S/c11-9-6-3-1-2-4-8(6)14-5-7(9)10(12)13/h1-5H
InChI Key:
UWZQCZCIMOCZBT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1csc2c(c1=O)cccc2
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.203g/mol
Monoisotopic Mass:
206.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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