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Home > Nitro Compounds > 144137-57-5
144137-57-5 | Benzenesulfonic acid, 2,4-dinitro-, (2,6-dimethoxyphenyl)methyl ester
CAS No: 144137-57-5 Catalog No: AG001IZ0 MDL No:
Product Description
Catalog Number:
AG001IZ0
Chemical Name:
Benzenesulfonic acid, 2,4-dinitro-, (2,6-dimethoxyphenyl)methyl ester
CAS Number:
144137-57-5
Molecular Formula:
C15H14N2O9S
Molecular Weight:
398.3447
IUPAC Name:
(2,6-dimethoxyphenyl)methyl 2,4-dinitrobenzenesulfonate
InChI:
InChI=1S/C15H14N2O9S/c1-24-13-4-3-5-14(25-2)11(13)9-26-27(22,23)15-7-6-10(16(18)19)8-12(15)17(20)21/h3-8H,9H2,1-2H3
InChI Key:
HGTBOTOTHNXDEW-UHFFFAOYSA-N
SMILES:
COc1cccc(c1COS(=O)(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])OC
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.042g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.342g/mol
Monoisotopic Mass:
398.042g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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