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Home > Nitro Compounds > 35272-19-6
35272-19-6 | 3-Methyl-5-nitrobenzoisothiazole
CAS No: 35272-19-6 Catalog No: AG003JQ9 MDL No:MFCD01830323
Product Description
Catalog Number:
AG003JQ9
Chemical Name:
3-Methyl-5-nitrobenzoisothiazole
CAS Number:
35272-19-6
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
MDL Number:
MFCD01830323
IUPAC Name:
3-methyl-5-nitro-1,2-benzothiazole
InChI:
InChI=1S/C8H6N2O2S/c1-5-7-4-6(10(11)12)2-3-8(7)13-9-5/h2-4H,1H3
InChI Key:
UUOMNUMWKBVHNG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(C)nsc2cc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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