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89150-42-5 | 5-Oxazolepropanoic acid, 4-(4-chlorophenyl)-2-methyl-, methyl ester
CAS No: 89150-42-5 Catalog No: AG003WSL MDL No:
Product Description
Catalog Number:
AG003WSL
Chemical Name:
5-Oxazolepropanoic acid, 4-(4-chlorophenyl)-2-methyl-, methyl ester
CAS Number:
89150-42-5
Molecular Formula:
C14H14ClNO3
Molecular Weight:
279.7189
IUPAC Name:
methyl 3-[4-(4-chlorophenyl)-2-methyl-1,3-oxazol-5-yl]propanoate
InChI:
InChI=1S/C14H14ClNO3/c1-9-16-14(10-3-5-11(15)6-4-10)12(19-9)7-8-13(17)18-2/h3-6H,7-8H2,1-2H3
InChI Key:
RHPCJIOKZZBQTJ-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1oc(nc1c1ccc(cc1)Cl)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.066g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.72g/mol
Monoisotopic Mass:
279.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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