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85102-99-4 | 1-Benzyl-1H-imidazole-5-carbaldehyde
CAS No: 85102-99-4 Catalog No: AG0036D8 MDL No:MFCD02179539
Product Description
Catalog Number:
AG0036D8
Chemical Name:
1-Benzyl-1H-imidazole-5-carbaldehyde
CAS Number:
85102-99-4
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD02179539
IUPAC Name:
3-benzylimidazole-4-carbaldehyde
InChI:
InChI=1S/C11H10N2O/c14-8-11-6-12-9-13(11)7-10-4-2-1-3-5-10/h1-6,8-9H,7H2
InChI Key:
QONDAZCJAPQGRX-UHFFFAOYSA-N
SMILES:
O=Cc1cncn1Cc1ccccc1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Synthesis and ocular effects of imidazole nitrolic acids. | Journal of medicinal chemistry 20050630 |
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