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Home > Nitro Compounds > 1485-91-2
1485-91-2 | Benzenesulfonic acid, 2,4-dinitro-, methyl ester
CAS No: 1485-91-2 Catalog No: AG001KZF MDL No:
Product Description
Catalog Number:
AG001KZF
Chemical Name:
Benzenesulfonic acid, 2,4-dinitro-, methyl ester
CAS Number:
1485-91-2
Molecular Formula:
C7H6N2O7S
Molecular Weight:
262.1967
IUPAC Name:
methyl 2,4-dinitrobenzenesulfonate
InChI:
InChI=1S/C7H6N2O7S/c1-16-17(14,15)7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3
InChI Key:
PHHGZNIUDPMBAW-UHFFFAOYSA-N
SMILES:
COS(=O)(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
140551
Properties
Complexity:
403
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:
0
Isotope Atom Count:
0
Molecular Weight:
262.192g/mol
Monoisotopic Mass:
261.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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