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864076-05-1 | methyl 4-bromo-1-methyl-1H-imidazole-2-carboxylate
CAS No: 864076-05-1 Catalog No: AG0036E2 MDL No:MFCD13189816
Product Description
Catalog Number:
AG0036E2
Chemical Name:
methyl 4-bromo-1-methyl-1H-imidazole-2-carboxylate
CAS Number:
864076-05-1
Molecular Formula:
C6H7BrN2O2
Molecular Weight:
219.0360
MDL Number:
MFCD13189816
IUPAC Name:
methyl 4-bromo-1-methylimidazole-2-carboxylate
InChI:
InChI=1S/C6H7BrN2O2/c1-9-3-4(7)8-5(9)6(10)11-2/h3H,1-2H3
InChI Key:
ROEZBNMDDJUDSC-UHFFFAOYSA-N
SMILES:
Cn1cc(nc1C(=O)OC)Br
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:
1.2
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