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Home > Thiazole > 1226233-39-1
1226233-39-1 | 1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethan-1-one
CAS No: 1226233-39-1 Catalog No: AG01DYJ9 MDL No:MFCD16309769
Product Description
Catalog Number:
AG01DYJ9
Chemical Name:
1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethan-1-one
CAS Number:
1226233-39-1
Molecular Formula:
C12H11NOS
Molecular Weight:
217.2868
MDL Number:
MFCD16309769
IUPAC Name:
1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone
InChI:
InChI=1S/C12H11NOS/c1-8-5-3-4-6-10(8)12-13-7-11(15-12)9(2)14/h3-7H,1-2H3
InChI Key:
BOEUYFSEXWUVNG-UHFFFAOYSA-N
SMILES:
Cc1ccccc1c1ncc(s1)C(=O)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.286g/mol
Monoisotopic Mass:
217.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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