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Home > Nitro Compounds > 123658-13-9
123658-13-9 | Benzenesulfonic acid, 4-methoxy-, (2,6-dinitrophenyl)methyl ester
CAS No: 123658-13-9 Catalog No: AG000KXR MDL No:
Product Description
Catalog Number:
AG000KXR
Chemical Name:
Benzenesulfonic acid, 4-methoxy-, (2,6-dinitrophenyl)methyl ester
CAS Number:
123658-13-9
Molecular Formula:
C14H12N2O8S
Molecular Weight:
368.3187
IUPAC Name:
(2,6-dinitrophenyl)methyl 4-methoxybenzenesulfonate
InChI:
InChI=1S/C14H12N2O8S/c1-23-10-5-7-11(8-6-10)25(21,22)24-9-12-13(15(17)18)3-2-4-14(12)16(19)20/h2-8H,9H2,1H3
InChI Key:
OIXGRSAXFCZZNT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.031g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.316g/mol
Monoisotopic Mass:
368.031g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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