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88465-36-5 | 1,2-Benzisothiazol-6-amine, N-butyl-N-ethyl-5-nitro-
CAS No: 88465-36-5 Catalog No: AG004C8U MDL No:
Product Description
Catalog Number:
AG004C8U
Chemical Name:
1,2-Benzisothiazol-6-amine, N-butyl-N-ethyl-5-nitro-
CAS Number:
88465-36-5
Molecular Formula:
C13H17N3O2S
Molecular Weight:
279.3580
IUPAC Name:
N-butyl-N-ethyl-5-nitro-1,2-benzothiazol-6-amine
InChI:
InChI=1S/C13H17N3O2S/c1-3-5-6-15(4-2)11-8-13-10(9-14-19-13)7-12(11)16(17)18/h7-9H,3-6H2,1-2H3
InChI Key:
AWCAELYHSKLMIG-UHFFFAOYSA-N
SMILES:
CCCCN(c1cc2sncc2cc1[N+](=O)[O-])CC
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.358g/mol
Monoisotopic Mass:
279.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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