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1260672-33-0 | 1H-Imidazole-2-carboxylic acid, 4-bromo-1-methyl-, ethyl ester
CAS No: 1260672-33-0 Catalog No: AG000R0U MDL No:MFCD18250060
Product Description
Catalog Number:
AG000R0U
Chemical Name:
1H-Imidazole-2-carboxylic acid, 4-bromo-1-methyl-, ethyl ester
CAS Number:
1260672-33-0
Molecular Formula:
C7H9BrN2O2
Molecular Weight:
233.0626
MDL Number:
MFCD18250060
IUPAC Name:
ethyl 4-bromo-1-methylimidazole-2-carboxylate
InChI:
InChI=1S/C7H9BrN2O2/c1-3-12-7(11)6-9-5(8)4-10(6)2/h4H,3H2,1-2H3
InChI Key:
CWCKOQOIVGTJNM-UHFFFAOYSA-N
SMILES:
Cn1cc(nc1C(=O)OCC)Br
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.985g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.065g/mol
Monoisotopic Mass:
231.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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