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127919-32-8 | 4-Oxazolecarboxylic acid, 5-(4-bromophenyl)-, ethyl ester
CAS No: 127919-32-8 Catalog No: AG000XKI MDL No:MFCD02179427
Product Description
Catalog Number:
AG000XKI
Chemical Name:
4-Oxazolecarboxylic acid, 5-(4-bromophenyl)-, ethyl ester
CAS Number:
127919-32-8
Molecular Formula:
C12H10BrNO3
Molecular Weight:
296.1167
MDL Number:
MFCD02179427
IUPAC Name:
ethyl 5-(4-bromophenyl)-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C12H10BrNO3/c1-2-16-12(15)10-11(17-7-14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChI Key:
IFMPSXDSMLDCNJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncoc1c1ccc(cc1)Br
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.984g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.12g/mol
Monoisotopic Mass:
294.984g/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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