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Home > Nitro Compounds > 1370050-78-4
1370050-78-4 | N-Methyl-7-nitro-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CAS No: 1370050-78-4 Catalog No: AG00HUSB MDL No:MFCD24849121
Product Description
Catalog Number:
AG00HUSB
Chemical Name:
N-Methyl-7-nitro-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CAS Number:
1370050-78-4
Molecular Formula:
C9H10N2O6S
Molecular Weight:
274.2505
MDL Number:
MFCD24849121
IUPAC Name:
N-methyl-7-nitro-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
InChI:
InChI=1S/C9H10N2O6S/c1-10-18(14,15)9-5-8-7(16-2-3-17-8)4-6(9)11(12)13/h4-5,10H,2-3H2,1H3
InChI Key:
YTBRETYBKDSWAR-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1cc2OCCOc2cc1[N+](=O)[O-]
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.026g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.247g/mol
Monoisotopic Mass:
274.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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