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5935-89-7 | 1-Propanone,1-(2-methyl-5-benzothiazolyl)-(7CI,8CI)
CAS No: 5935-89-7 Catalog No: AG00EZW1 MDL No:
Product Description
Catalog Number:
AG00EZW1
Chemical Name:
1-Propanone,1-(2-methyl-5-benzothiazolyl)-(7CI,8CI)
CAS Number:
5935-89-7
IUPAC Name:
1-(2-methyl-1,3-benzothiazol-5-yl)propan-1-one
InChI:
InChI=1S/C11H11NOS/c1-3-10(13)8-4-5-11-9(6-8)12-7(2)14-11/h4-6H,3H2,1-2H3
InChI Key:
SMRGAWSDFKIKJS-UHFFFAOYSA-N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.275g/mol
Monoisotopic Mass:
205.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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