Home Halogens 1H-Imidazole-5-carboxaldehyde, 4-bromo-1-methyl-

1H-Imidazole-5-carboxaldehyde, 4-bromo-1-methyl-

CAS No.:
141524-74-5
Catalog Number:
AG001GK5
Molecular Formula:
C5H5BrN2O
Molecular Weight:
189.0100
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Product Description
Catalog Number:
AG001GK5
Chemical Name:
1H-Imidazole-5-carboxaldehyde, 4-bromo-1-methyl-
CAS Number:
141524-74-5
Molecular Formula:
C5H5BrN2O
Molecular Weight:
189.0100
MDL Number:
MFCD01632216
IUPAC Name:
5-bromo-3-methylimidazole-4-carbaldehyde
InChI:
InChI=1S/C5H5BrN2O/c1-8-3-7-5(6)4(8)2-9/h2-3H,1H3
InChI Key:
MBLIXONXVCDFMO-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1C=O)Br
Properties
Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.959g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.012g/mol
Monoisotopic Mass:
187.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties