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Home > Nitro Compounds > 89844-71-3
89844-71-3 | Thianthrene, 2,7-dinitro-
CAS No: 89844-71-3 Catalog No: AG003XGV MDL No:
Product Description
Catalog Number:
AG003XGV
Chemical Name:
Thianthrene, 2,7-dinitro-
CAS Number:
89844-71-3
Molecular Formula:
C12H6N2O4S2
Molecular Weight:
306.3170
IUPAC Name:
2,7-dinitrothianthrene
InChI:
InChI=1S/C12H6N2O4S2/c15-13(16)7-1-3-9-11(5-7)20-10-4-2-8(14(17)18)6-12(10)19-9/h1-6H
InChI Key:
AYWQEIJJQYDOER-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)Sc1c(S2)cc(cc1)[N+](=O)[O-]
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.977g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.31g/mol
Monoisotopic Mass:
305.977g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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