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129663-20-3 | Ethyl 5-(2-bromoacetyl)-3-methylisoxazole-4-carboxylate
CAS No: 129663-20-3 Catalog No: AG01F7OL MDL No:
Product Description
Catalog Number:
AG01F7OL
Chemical Name:
Ethyl 5-(2-bromoacetyl)-3-methylisoxazole-4-carboxylate
CAS Number:
129663-20-3
Molecular Formula:
C9H10BrNO4
Molecular Weight:
276.0840
IUPAC Name:
ethyl 5-(2-bromoacetyl)-3-methyl-1,2-oxazole-4-carboxylate
InChI:
InChI=1S/C9H10BrNO4/c1-3-14-9(13)7-5(2)11-15-8(7)6(12)4-10/h3-4H2,1-2H3
InChI Key:
XWPKNBQNOKXDTA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)noc1C(=O)CBr
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.979g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.086g/mol
Monoisotopic Mass:
274.979g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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