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Home > Nitro Compounds > 88-90-4
88-90-4 | Benzenesulfonic acid,4-methyl-3,5-dinitro-
CAS No: 88-90-4 Catalog No: AG0049O4 MDL No:
Product Description
Catalog Number:
AG0049O4
Chemical Name:
Benzenesulfonic acid,4-methyl-3,5-dinitro-
CAS Number:
88-90-4
Molecular Formula:
C7H6N2O7S
Molecular Weight:
262.1967
IUPAC Name:
4-methyl-3,5-dinitrobenzenesulfonic acid
InChI:
InChI=1S/C7H6N2O7S/c1-4-6(8(10)11)2-5(17(14,15)16)3-7(4)9(12)13/h2-3H,1H3,(H,14,15,16)
InChI Key:
SWBCSBNHMVLMKP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1C)[N+](=O)[O-])S(=O)(=O)O
EC Number:
201-866-4
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.99g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.192g/mol
Monoisotopic Mass:
261.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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