Home Halogens 1H-Imidazole-5-carboxylicacid, 2-bromo-1-methyl-, methyl ester

1H-Imidazole-5-carboxylicacid, 2-bromo-1-methyl-, methyl ester

CAS No.:
120781-02-4
Catalog Number:
AG007PLI
Molecular Formula:
C6H7BrN2O2
Molecular Weight:
219.0360
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG007PLI
Chemical Name:
1H-Imidazole-5-carboxylicacid, 2-bromo-1-methyl-, methyl ester
CAS Number:
120781-02-4
Molecular Formula:
C6H7BrN2O2
Molecular Weight:
219.0360
MDL Number:
MFCD02179563
IUPAC Name:
methyl 2-bromo-3-methylimidazole-4-carboxylate
InChI:
InChI=1S/C6H7BrN2O2/c1-9-4(5(10)11-2)3-8-6(9)7/h3H,1-2H3
InChI Key:
ZTQDLPCCSZIZFV-UHFFFAOYSA-N
SMILES:
Cn1c(cnc1Br)C(=O)OC
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.969g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.038g/mol
Monoisotopic Mass:
217.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties