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33429-15-1 | 1-Propanone,1-(2-benzothiazolyl)-2,2-dimethyl-(8CI,9CI)
CAS No: 33429-15-1 Catalog No: AG00D155 MDL No:
Product Description
Catalog Number:
AG00D155
Chemical Name:
1-Propanone,1-(2-benzothiazolyl)-2,2-dimethyl-(8CI,9CI)
CAS Number:
33429-15-1
IUPAC Name:
1-(1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-one
InChI:
InChI=1S/C12H13NOS/c1-12(2,3)10(14)11-13-8-6-4-5-7-9(8)15-11/h4-7H,1-3H3
InChI Key:
QYETYSUDZJCLCK-UHFFFAOYSA-N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.302g/mol
Monoisotopic Mass:
219.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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