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Home > Nitro Compounds > 20912-40-7
20912-40-7 | Methanedisulfonic acid, 1,1-bis(4-nitrophenyl) ester
CAS No: 20912-40-7 Catalog No: AG002K2E MDL No:
Product Description
Catalog Number:
AG002K2E
Chemical Name:
Methanedisulfonic acid, 1,1-bis(4-nitrophenyl) ester
CAS Number:
20912-40-7
Molecular Formula:
C13H10N2O10S2
Molecular Weight:
418.3559
IUPAC Name:
bis(4-nitrophenyl) methanedisulfonate
InChI:
InChI=1S/C13H10N2O10S2/c16-14(17)10-1-5-12(6-2-10)24-26(20,21)9-27(22,23)25-13-7-3-11(4-8-13)15(18)19/h1-8H,9H2
InChI Key:
OPAMKJSNBJNJEF-UHFFFAOYSA-N
SMILES:
O=S(=O)(CS(=O)(=O)Oc1ccc(cc1)[N+](=O)[O-])Oc1ccc(cc1)[N+](=O)[O-]
NSC Number:
112729
Properties
Complexity:
664
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.978g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.347g/mol
Monoisotopic Mass:
417.978g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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