Home Halogens 4-Oxazolecarboxylic acid, 5-bromo-2-methyl-, ethyl ester

4-Oxazolecarboxylic acid, 5-bromo-2-methyl-, ethyl ester

CAS No.:
1260861-94-6
Catalog Number:
AG000RGT
Molecular Formula:
C7H8BrNO3
Molecular Weight:
234.0473
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Product Description
Catalog Number:
AG000RGT
Chemical Name:
4-Oxazolecarboxylic acid, 5-bromo-2-methyl-, ethyl ester
CAS Number:
1260861-94-6
Molecular Formula:
C7H8BrNO3
Molecular Weight:
234.0473
MDL Number:
MFCD10566060
IUPAC Name:
ethyl 5-bromo-2-methyl-1,3-oxazole-4-carboxylate
InChI:
InChI=1S/C7H8BrNO3/c1-3-11-7(10)5-6(8)12-4(2)9-5/h3H2,1-2H3
InChI Key:
WUYVDXANJRQDOO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(oc1Br)C
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.969g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.049g/mol
Monoisotopic Mass:
232.969g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties