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19968-50-4 | Thiazole, 2-ethyl-4-phenyl-
CAS No: 19968-50-4 Catalog No: AG002CAI MDL No:
Product Description
Catalog Number:
AG002CAI
Chemical Name:
Thiazole, 2-ethyl-4-phenyl-
CAS Number:
19968-50-4
Molecular Formula:
C11H11NS
Molecular Weight:
189.2767
IUPAC Name:
2-ethyl-4-phenyl-1,3-thiazole
InChI:
InChI=1S/C11H11NS/c1-2-11-12-10(8-13-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChI Key:
LQHZBBOWHMBQLQ-UHFFFAOYSA-N
SMILES:
CCc1scc(n1)c1ccccc1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.276g/mol
Monoisotopic Mass:
189.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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