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132089-42-0 | 4-Oxazolecarboxylic acid, 2-(4-fluorophenyl)-, ethyl ester
CAS No: 132089-42-0 Catalog No: AG00106W MDL No:MFCD06738548
Product Description
Catalog Number:
AG00106W
Chemical Name:
4-Oxazolecarboxylic acid, 2-(4-fluorophenyl)-, ethyl ester
CAS Number:
132089-42-0
Molecular Formula:
C12H10FNO3
Molecular Weight:
235.2111
MDL Number:
MFCD06738548
IUPAC Name:
ethyl 2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C12H10FNO3/c1-2-16-12(15)10-7-17-11(14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChI Key:
UAXZGKAXBLXDTI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1coc(n1)c1ccc(cc1)F
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.214g/mol
Monoisotopic Mass:
235.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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