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Home > Nitro Compounds > 13653-19-5
13653-19-5 | 1,3-Benzenedisulfonic acid, 1,3-bis(4-nitrophenyl) ester
CAS No: 13653-19-5 Catalog No: AG001221 MDL No:
Product Description
Catalog Number:
AG001221
Chemical Name:
1,3-Benzenedisulfonic acid, 1,3-bis(4-nitrophenyl) ester
CAS Number:
13653-19-5
Molecular Formula:
C18H12N2O10S2
Molecular Weight:
480.4253
IUPAC Name:
bis(4-nitrophenyl) benzene-1,3-disulfonate
InChI:
InChI=1S/C18H12N2O10S2/c21-19(22)13-4-8-15(9-5-13)29-31(25,26)17-2-1-3-18(12-17)32(27,28)30-16-10-6-14(7-11-16)20(23)24/h1-12H
InChI Key:
NVCBOTPTTJQCMR-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cccc(c1)S(=O)(=O)Oc1ccc(cc1)[N+](=O)[O-])Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
797
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.993g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
480.418g/mol
Monoisotopic Mass:
479.993g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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