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Home > Nitro Compounds > 30729-49-8
30729-49-8 | Benzenesulfonic acid, dinitro- (8CI,9CI)
CAS No: 30729-49-8 Catalog No: AG003126 MDL No:
Product Description
Catalog Number:
AG003126
Chemical Name:
Benzenesulfonic acid, dinitro- (8CI,9CI)
CAS Number:
30729-49-8
Molecular Formula:
C6H4N2O7S
Molecular Weight:
248.1702
IUPAC Name:
2,3-dinitrobenzenesulfonic acid
InChI:
InChI=1S/C6H4N2O7S/c9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12/h1-3H,(H,13,14,15)
InChI Key:
IORISFYTXJVNFE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(cccc1S(=O)(=O)O)[N+](=O)[O-]
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.974g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.165g/mol
Monoisotopic Mass:
247.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
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