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Home > Nitro Compounds > 19094-32-7
19094-32-7 | Benzothiazole, 2-(ethylsulfonyl)-6-nitro-
CAS No: 19094-32-7 Catalog No: AG002EXJ MDL No:
Product Description
Catalog Number:
AG002EXJ
Chemical Name:
Benzothiazole, 2-(ethylsulfonyl)-6-nitro-
CAS Number:
19094-32-7
Molecular Formula:
C9H8N2O4S2
Molecular Weight:
272.3008
IUPAC Name:
2-ethylsulfonyl-6-nitro-1,3-benzothiazole
InChI:
InChI=1S/C9H8N2O4S2/c1-2-17(14,15)9-10-7-4-3-6(11(12)13)5-8(7)16-9/h3-5H,2H2,1H3
InChI Key:
HEWSLJHLRNJJKR-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1nc2c(s1)cc(cc2)[N+](=O)[O-]
EC Number:
242-813-5
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.993g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.293g/mol
Monoisotopic Mass:
271.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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