Home Carboxys methyl 2-iodo-1-methyl-1H-imidazole-5-carboxylate

methyl 2-iodo-1-methyl-1H-imidazole-5-carboxylate

CAS No.:
1955557-31-9
Catalog Number:
AG01B27P
Molecular Formula:
C6H7IN2O2
Molecular Weight:
266.0365
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Product Description
Catalog Number:
AG01B27P
Chemical Name:
methyl 2-iodo-1-methyl-1H-imidazole-5-carboxylate
CAS Number:
1955557-31-9
Molecular Formula:
C6H7IN2O2
Molecular Weight:
266.0365
MDL Number:
MFCD29991570
IUPAC Name:
methyl 2-iodo-3-methylimidazole-4-carboxylate
InChI:
InChI=1S/C6H7IN2O2/c1-9-4(5(10)11-2)3-8-6(9)7/h3H,1-2H3
InChI Key:
QVPTXHKJTWQMBH-UHFFFAOYSA-N
SMILES:
Cn1c(cnc1I)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:
265.955g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.038g/mol
Monoisotopic Mass:
265.955g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties