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Home > Nitro Compounds > 138907-39-8
138907-39-8 | Benzenesulfonic acid, 3,4,5-trinitro-
CAS No: 138907-39-8 Catalog No: AG0019SE MDL No:
Product Description
Catalog Number:
AG0019SE
Chemical Name:
Benzenesulfonic acid, 3,4,5-trinitro-
CAS Number:
138907-39-8
Molecular Formula:
C6H3N3O9S
Molecular Weight:
293.1677
IUPAC Name:
3,4,5-trinitrobenzenesulfonic acid
InChI:
InChI=1S/C6H3N3O9S/c10-7(11)4-1-3(19(16,17)18)2-5(8(12)13)6(4)9(14)15/h1-2H,(H,16,17,18)
InChI Key:
QMOZRLCXZUGTDF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.959g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.162g/mol
Monoisotopic Mass:
292.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
200A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Expression of apoptosis-related proteins in rat with induced colitis. | International journal of colorectal disease 20040901 |
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