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68282-47-3 | 2-Phenyl-1H-imidazole-4-carbaldehyde
CAS No: 68282-47-3 Catalog No: AG0036OU MDL No:MFCD00173729
Product Description
Catalog Number:
AG0036OU
Chemical Name:
2-Phenyl-1H-imidazole-4-carbaldehyde
CAS Number:
68282-47-3
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD00173729
IUPAC Name:
2-phenyl-1H-imidazole-5-carbaldehyde
InChI:
InChI=1S/C10H8N2O/c13-7-9-6-11-10(12-9)8-4-2-1-3-5-8/h1-7H,(H,11,12)
InChI Key:
LFKJFIOTRHYONM-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c(n1)c1ccccc1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Imidazole-based potential Bi- and tridentate nitrogen ligands: synthesis, characterization and application in asymmetric catalysis. | Molecules (Basel, Switzerland) 20080925 |
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