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Home > Nitro Compounds > 5279-54-9
5279-54-9 | 7-nitro-2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride
CAS No: 5279-54-9 Catalog No: AG01AAG1 MDL No:MFCD09811971
Product Description
Catalog Number:
AG01AAG1
Chemical Name:
7-nitro-2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride
CAS Number:
5279-54-9
Molecular Formula:
C8H6ClNO6S
Molecular Weight:
279.6543
MDL Number:
MFCD09811971
IUPAC Name:
7-nitro-2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride
InChI:
InChI=1S/C8H6ClNO6S/c9-17(13,14)8-4-7-6(15-1-2-16-7)3-5(8)10(11)12/h3-4H,1-2H2
InChI Key:
DQQWYGCFFDQYBR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2OCCOc2cc1S(=O)(=O)Cl
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.96g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.647g/mol
Monoisotopic Mass:
278.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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