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129144-38-3 | Ethanone, 1-[3-(4-chlorophenyl)-4-isoxazolyl]-
CAS No: 129144-38-3 Catalog No: AG000YW0 MDL No:
Product Description
Catalog Number:
AG000YW0
Chemical Name:
Ethanone, 1-[3-(4-chlorophenyl)-4-isoxazolyl]-
CAS Number:
129144-38-3
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
IUPAC Name:
1-[3-(4-chlorophenyl)-1,2-oxazol-4-yl]ethanone
InChI:
InChI=1S/C11H8ClNO2/c1-7(14)10-6-15-13-11(10)8-2-4-9(12)5-3-8/h2-6H,1H3
InChI Key:
ABAYZBGGKIHLRK-UHFFFAOYSA-N
SMILES:
CC(=O)c1conc1c1ccc(cc1)Cl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.024g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.64g/mol
Monoisotopic Mass:
221.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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