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89149-96-2 | Oxazole, 5-(2-chloroethyl)-2-methyl-4-phenyl-
CAS No: 89149-96-2 Catalog No: AG003WT3 MDL No:
Product Description
Catalog Number:
AG003WT3
Chemical Name:
Oxazole, 5-(2-chloroethyl)-2-methyl-4-phenyl-
CAS Number:
89149-96-2
Molecular Formula:
C12H12ClNO
Molecular Weight:
221.6828
IUPAC Name:
5-(2-chloroethyl)-2-methyl-4-phenyl-1,3-oxazole
InChI:
InChI=1S/C12H12ClNO/c1-9-14-12(11(15-9)7-8-13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChI Key:
FZUIUKOOUSSDJU-UHFFFAOYSA-N
SMILES:
ClCCc1oc(nc1c1ccccc1)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.684g/mol
Monoisotopic Mass:
221.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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