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132089-43-1 | 4-Oxazolecarboxylic acid, 2-(3-chlorophenyl)-, ethyl ester
CAS No: 132089-43-1 Catalog No: AG00106V MDL No:MFCD06738597
Product Description
Catalog Number:
AG00106V
Chemical Name:
4-Oxazolecarboxylic acid, 2-(3-chlorophenyl)-, ethyl ester
CAS Number:
132089-43-1
Molecular Formula:
C12H10ClNO3
Molecular Weight:
251.6657
MDL Number:
MFCD06738597
IUPAC Name:
ethyl 2-(3-chlorophenyl)-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C12H10ClNO3/c1-2-16-12(15)10-7-17-11(14-10)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3
InChI Key:
PELAQAAHKNUEML-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1coc(n1)c1cccc(c1)Cl
Properties
Complexity:
275
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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