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Home > Nitro Compounds > 827020-55-3
827020-55-3 | Benzenesulfonic acid, 2,4-dinitro-, 3-oxo-3H-phenoxazin-7-yl ester
CAS No: 827020-55-3 Catalog No: AG0051P2 MDL No:
Product Description
Catalog Number:
AG0051P2
Chemical Name:
Benzenesulfonic acid, 2,4-dinitro-, 3-oxo-3H-phenoxazin-7-yl ester
CAS Number:
827020-55-3
Molecular Formula:
C18H9N3O9S
Molecular Weight:
443.3438
IUPAC Name:
(7-oxophenoxazin-3-yl) 2,4-dinitrobenzenesulfonate
InChI:
InChI=1S/C18H9N3O9S/c22-11-2-4-13-16(8-11)29-17-9-12(3-5-14(17)19-13)30-31(27,28)18-6-1-10(20(23)24)7-15(18)21(25)26/h1-9H
InChI Key:
HWLAMNLWIAACGG-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(c1)oc1c(n2)ccc(c1)OS(=O)(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
986
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.006g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
443.342g/mol
Monoisotopic Mass:
443.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
182A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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