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30486-01-2 | Phenoxathiin, 2,8-dinitro-, 10-oxide
CAS No: 30486-01-2 Catalog No: AG0030B8 MDL No:
Product Description
Catalog Number:
AG0030B8
Chemical Name:
Phenoxathiin, 2,8-dinitro-, 10-oxide
CAS Number:
30486-01-2
Molecular Formula:
C12H6N2O6S
Molecular Weight:
306.2508
IUPAC Name:
2,8-dinitrophenoxathiine 10-oxide
InChI:
InChI=1S/C12H6N2O6S/c15-13(16)7-1-3-9-11(5-7)21(19)12-6-8(14(17)18)2-4-10(12)20-9/h1-6H
InChI Key:
DUWYNKVXAPKABS-UHFFFAOYSA-N
SMILES:
O=S1c2cc(ccc2Oc2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.995g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.248g/mol
Monoisotopic Mass:
305.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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