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58351-05-6 | 1-(4-Phenyl-1,3-thiazol-2-yl)ethanone
CAS No: 58351-05-6 Catalog No: AG00ELHK MDL No:MFCD09693730
Product Description
Catalog Number:
AG00ELHK
Chemical Name:
1-(4-Phenyl-1,3-thiazol-2-yl)ethanone
CAS Number:
58351-05-6
Molecular Formula:
C11H9NOS
Molecular Weight:
203.2603
MDL Number:
MFCD09693730
IUPAC Name:
1-(4-phenyl-1,3-thiazol-2-yl)ethanone
InChI:
InChI=1S/C11H9NOS/c1-8(13)11-12-10(7-14-11)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
WLRIQFOJQQWQRX-UHFFFAOYSA-N
SMILES:
CC(=O)c1scc(n1)c1ccccc1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.259g/mol
Monoisotopic Mass:
203.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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