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6187-89-9 | 3-Methyl-1,2-benzisothiazole
CAS No: 6187-89-9 Catalog No: AG00EL38 MDL No:
Product Description
Catalog Number:
AG00EL38
Chemical Name:
3-Methyl-1,2-benzisothiazole
CAS Number:
6187-89-9
IUPAC Name:
3-methyl-1,2-benzothiazole
InChI:
InChI=1S/C8H7NS/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3
InChI Key:
DAEGDNYLKMKZRG-UHFFFAOYSA-N
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.211g/mol
Monoisotopic Mass:
149.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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