Home Halogens Methyl 5-bromo-1H-imidazole-4-carboxylate

Methyl 5-bromo-1H-imidazole-4-carboxylate

CAS No.:
1093261-46-1
Catalog Number:
AG008Z2O
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
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Product Description
Catalog Number:
AG008Z2O
Chemical Name:
Methyl 5-bromo-1H-imidazole-4-carboxylate
CAS Number:
1093261-46-1
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
MDL Number:
MFCD24849845
IUPAC Name:
methyl 5-bromo-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C5H5BrN2O2/c1-10-5(9)3-4(6)8-2-7-3/h2H,1H3,(H,7,8)
InChI Key:
GRIZGYQGAGYKNL-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Br)nc[nH]1
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.953g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.011g/mol
Monoisotopic Mass:
203.953g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties