Home Halogens methyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate

methyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate

CAS No.:
95312-27-9
Catalog Number:
AG019XEO
Molecular Formula:
C6H6BrNO3
Molecular Weight:
220.0207
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Product Description
Catalog Number:
AG019XEO
Chemical Name:
methyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate
CAS Number:
95312-27-9
Molecular Formula:
C6H6BrNO3
Molecular Weight:
220.0207
MDL Number:
MFCD11975679
IUPAC Name:
methyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C6H6BrNO3/c1-10-6(9)5-2-4(3-7)11-8-5/h2H,3H2,1H3
InChI Key:
ARDHGTWSZBQZMX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(on1)CBr
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.953g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.022g/mol
Monoisotopic Mass:
218.953g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties