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Home > Nitro Compounds > 1799982-31-2
1799982-31-2 | 8-nitro-2,4-dihydrospiro[1,5-benzoxathiepine-3,2'-oxirane]
CAS No: 1799982-31-2 Catalog No: AG01B94E MDL No:MFCD28348254
Product Description
Catalog Number:
AG01B94E
Chemical Name:
8-nitro-2,4-dihydrospiro[1,5-benzoxathiepine-3,2'-oxirane]
CAS Number:
1799982-31-2
Molecular Formula:
C10H9NO4S
Molecular Weight:
239.2478
MDL Number:
MFCD28348254
IUPAC Name:
8-nitrospiro[2,4-dihydro-1,5-benzoxathiepine-3,2'-oxirane]
InChI:
InChI=1S/C10H9NO4S/c12-11(13)7-1-2-9-8(3-7)14-4-10(5-15-10)6-16-9/h1-3H,4-6H2
InChI Key:
HHWSTWVTDOMVGS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)OCC1(CS2)CO1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.025g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.245g/mol
Monoisotopic Mass:
239.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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