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Home > Aldehydes > 139742-78-2
139742-78-2 | 1H-Imidazole-4-carboxaldehyde, 5-bromo-2-butyl-
CAS No: 139742-78-2 Catalog No: AG001BNG MDL No:
Product Description
Catalog Number:
AG001BNG
Chemical Name:
1H-Imidazole-4-carboxaldehyde, 5-bromo-2-butyl-
CAS Number:
139742-78-2
Molecular Formula:
C8H11BrN2O
Molecular Weight:
231.0897
IUPAC Name:
5-bromo-2-butyl-1H-imidazole-4-carbaldehyde
InChI:
InChI=1S/C8H11BrN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h5H,2-4H2,1H3,(H,10,11)
InChI Key:
WMAQGSKZDVUZAV-UHFFFAOYSA-N
SMILES:
CCCCc1nc(c([nH]1)Br)C=O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.005g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.093g/mol
Monoisotopic Mass:
230.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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