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20077-92-3 | Ethanone, 1-(2-methyl-6-benzothiazolyl)- (9CI)
CAS No: 20077-92-3 Catalog No: AG00BHB4 MDL No:
Product Description
Catalog Number:
AG00BHB4
Chemical Name:
Ethanone, 1-(2-methyl-6-benzothiazolyl)- (9CI)
CAS Number:
20077-92-3
IUPAC Name:
1-(2-methyl-1,3-benzothiazol-6-yl)ethanone
InChI:
InChI=1S/C10H9NOS/c1-6(12)8-3-4-9-10(5-8)13-7(2)11-9/h3-5H,1-2H3
InChI Key:
CCSCEVNEBAYVTC-UHFFFAOYSA-N
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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