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2082-14-6 | 2-Oxazolecarboxylic acid, 5-(4-chlorophenyl)-, ethyl ester
CAS No: 2082-14-6 Catalog No: AG002JKP MDL No:MFCD21091665
Product Description
Catalog Number:
AG002JKP
Chemical Name:
2-Oxazolecarboxylic acid, 5-(4-chlorophenyl)-, ethyl ester
CAS Number:
2082-14-6
Molecular Formula:
C12H10ClNO3
Molecular Weight:
251.6657
MDL Number:
MFCD21091665
IUPAC Name:
ethyl 5-(4-chlorophenyl)-1,3-oxazole-2-carboxylate
InChI:
InChI=1S/C12H10ClNO3/c1-2-16-12(15)11-14-7-10(17-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChI Key:
IKSPPYJJAHLWCP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc(o1)c1ccc(cc1)Cl
Properties
Complexity:
267
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:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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