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Home > Aldehydes > 101853-88-7
101853-88-7 | 1H-Imidazole-5-carboxaldehyde, 4-bromo-1-[(4-methoxyphenyl)methyl]-
CAS No: 101853-88-7 Catalog No: AG0005Q5 MDL No:
Product Description
Catalog Number:
AG0005Q5
Chemical Name:
1H-Imidazole-5-carboxaldehyde, 4-bromo-1-[(4-methoxyphenyl)methyl]-
CAS Number:
101853-88-7
Molecular Formula:
C12H11BrN2O2
Molecular Weight:
295.1319
IUPAC Name:
5-bromo-3-[(4-methoxyphenyl)methyl]imidazole-4-carbaldehyde
InChI:
InChI=1S/C12H11BrN2O2/c1-17-10-4-2-9(3-5-10)6-15-8-14-12(13)11(15)7-16/h2-5,7-8H,6H2,1H3
InChI Key:
FOMVPOCQLWZMDG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1cnc(c1C=O)Br
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.136g/mol
Monoisotopic Mass:
294g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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