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252561-49-2 | 1-[4-(1,3-thiazol-4-yl)phenyl]ethan-1-one
CAS No: 252561-49-2 Catalog No: AG01CA08 MDL No:
Product Description
Catalog Number:
AG01CA08
Chemical Name:
1-[4-(1,3-thiazol-4-yl)phenyl]ethan-1-one
CAS Number:
252561-49-2
Molecular Formula:
C11H9NOS
Molecular Weight:
203.2603
IUPAC Name:
1-[4-(1,3-thiazol-4-yl)phenyl]ethanone
InChI:
InChI=1S/C11H9NOS/c1-8(13)9-2-4-10(5-3-9)11-6-14-7-12-11/h2-7H,1H3
InChI Key:
PHJIFJJORJXADY-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)c1cscn1
Properties
Complexity:
211
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:
2.3
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