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Home > Nitro Compounds > 77859-58-6
77859-58-6 | 2(3H)-Benzothiazolone,5-methyl-6-nitro-(9CI)
CAS No: 77859-58-6 Catalog No: AG00GQYK MDL No:
Product Description
Catalog Number:
AG00GQYK
Chemical Name:
2(3H)-Benzothiazolone,5-methyl-6-nitro-(9CI)
CAS Number:
77859-58-6
IUPAC Name:
5-methyl-6-nitro-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C8H6N2O3S/c1-4-2-5-7(14-8(11)9-5)3-6(4)10(12)13/h2-3H,1H3,(H,9,11)
InChI Key:
GQTJEBLLXJYVNU-UHFFFAOYSA-N
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.207g/mol
Monoisotopic Mass:
210.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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