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101273-93-2 | Ethanone, 2-(2-benzothiazolyl)-1-(4-methoxyphenyl)-
CAS No: 101273-93-2 Catalog No: AG00044F MDL No:
Product Description
Catalog Number:
AG00044F
Chemical Name:
Ethanone, 2-(2-benzothiazolyl)-1-(4-methoxyphenyl)-
CAS Number:
101273-93-2
Molecular Formula:
C16H13NO2S
Molecular Weight:
283.3449
IUPAC Name:
2-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)ethanone
InChI:
InChI=1S/C16H13NO2S/c1-19-12-8-6-11(7-9-12)14(18)10-16-17-13-4-2-3-5-15(13)20-16/h2-9H,10H2,1H3
InChI Key:
UYBNXPPUWGNXGQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Cc1nc2c(s1)cccc2
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.345g/mol
Monoisotopic Mass:
283.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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