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Home > Bromides > 1823898-69-6
1823898-69-6 | 5-Oxazolecarboxylic acid, 2-bromo-4-methyl-, methyl ester
CAS No: 1823898-69-6 Catalog No: AG0023RF MDL No:
Product Description
Catalog Number:
AG0023RF
Chemical Name:
5-Oxazolecarboxylic acid, 2-bromo-4-methyl-, methyl ester
CAS Number:
1823898-69-6
Molecular Formula:
C6H6BrNO3
Molecular Weight:
220.0207
IUPAC Name:
methyl 2-bromo-4-methyl-1,3-oxazole-5-carboxylate
InChI:
InChI=1S/C6H6BrNO3/c1-3-4(5(9)10-2)11-6(7)8-3/h1-2H3
InChI Key:
JIDRKEXRLWTUPY-UHFFFAOYSA-N
SMILES:
Cc1nc(oc1C(=O)OC)Br
Properties
Complexity:
164
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:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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