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207564-82-7 | 5-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-, methyl ester
CAS No: 207564-82-7 Catalog No: AG002J4G MDL No:
Product Description
Catalog Number:
AG002J4G
Chemical Name:
5-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-, methyl ester
CAS Number:
207564-82-7
Molecular Formula:
C11H8ClNO3
Molecular Weight:
237.6391
IUPAC Name:
methyl 3-(4-chlorophenyl)-1,2-oxazole-5-carboxylate
InChI:
InChI=1S/C11H8ClNO3/c1-15-11(14)10-6-9(13-16-10)7-2-4-8(12)5-3-7/h2-6H,1H3
InChI Key:
MWTYUSPVRACXJH-UHFFFAOYSA-N
SMILES:
COC(=O)c1onc(c1)c1ccc(cc1)Cl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.639g/mol
Monoisotopic Mass:
237.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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