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1309576-06-4 | 4-Oxazolecarboxylic acid, 2-[(4-chlorophenyl)methyl]-, ethyl ester
CAS No: 1309576-06-4 Catalog No: AG000V59 MDL No:MFCD27952699
Product Description
Catalog Number:
AG000V59
Chemical Name:
4-Oxazolecarboxylic acid, 2-[(4-chlorophenyl)methyl]-, ethyl ester
CAS Number:
1309576-06-4
Molecular Formula:
C13H12ClNO3
Molecular Weight:
265.6923
MDL Number:
MFCD27952699
IUPAC Name:
ethyl 2-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C13H12ClNO3/c1-2-17-13(16)11-8-18-12(15-11)7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3
InChI Key:
UQZLOEZCCLBFSL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1coc(n1)Cc1ccc(cc1)Cl
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.693g/mol
Monoisotopic Mass:
265.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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