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5304-19-8 | Benzothiazole, 4-methoxy-2-methyl- (7CI,8CI,9CI)
CAS No: 5304-19-8 Catalog No: AG00DJEC MDL No:
Product Description
Catalog Number:
AG00DJEC
Chemical Name:
Benzothiazole, 4-methoxy-2-methyl- (7CI,8CI,9CI)
CAS Number:
5304-19-8
IUPAC Name:
4-methoxy-2-methyl-1,3-benzothiazole
InChI:
InChI=1S/C9H9NOS/c1-6-10-9-7(11-2)4-3-5-8(9)12-6/h3-5H,1-2H3
InChI Key:
TUOBUQBWIXBEHR-UHFFFAOYSA-N
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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