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1208081-71-3 | 5-(3-Chloro-phenyl)-3-methyl-isoxazole-4-carboxylic acid methyl ester
CAS No: 1208081-71-3 Catalog No: AG01FGXO MDL No:
Product Description
Catalog Number:
AG01FGXO
Chemical Name:
5-(3-Chloro-phenyl)-3-methyl-isoxazole-4-carboxylic acid methyl ester
CAS Number:
1208081-71-3
IUPAC Name:
methyl 5-(3-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C12H10ClNO3/c1-7-10(12(15)16-2)11(17-14-7)8-4-3-5-9(13)6-8/h3-6H,1-2H3
InChI Key:
UEJYPOXUSXCAOD-UHFFFAOYSA-N
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.666g/mol
Monoisotopic Mass:
251.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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