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Home > Nitro Compounds > 89444-03-1
89444-03-1 | 4H-1-Benzothiopyran-4-one, 6-nitro-2,3-dihydro-
CAS No: 89444-03-1 Catalog No: AG0044J6 MDL No:MFCD21603944
Product Description
Catalog Number:
AG0044J6
Chemical Name:
4H-1-Benzothiopyran-4-one, 6-nitro-2,3-dihydro-
CAS Number:
89444-03-1
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
MDL Number:
MFCD21603944
IUPAC Name:
6-nitro-2,3-dihydrothiochromen-4-one
InChI:
InChI=1S/C9H7NO3S/c11-8-3-4-14-9-2-1-6(10(12)13)5-7(8)9/h1-2,5H,3-4H2
InChI Key:
LTIWZGCRKUPJMM-UHFFFAOYSA-N
SMILES:
O=C1CCSc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.219g/mol
Monoisotopic Mass:
209.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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