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Home > Nitro Compounds > 796073-49-9
796073-49-9 | Benzothiazole, 6-methoxy-2-methyl-4-nitro- (4CI)
CAS No: 796073-49-9 Catalog No: AG00GC93 MDL No:
Product Description
Catalog Number:
AG00GC93
Chemical Name:
Benzothiazole, 6-methoxy-2-methyl-4-nitro- (4CI)
CAS Number:
796073-49-9
IUPAC Name:
6-methoxy-2-methyl-4-nitro-1,3-benzothiazole
InChI:
InChI=1S/C9H8N2O3S/c1-5-10-9-7(11(12)13)3-6(14-2)4-8(9)15-5/h3-4H,1-2H3
InChI Key:
WXAIVKDPFWHZLL-UHFFFAOYSA-N
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.234g/mol
Monoisotopic Mass:
224.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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