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3012-80-4 | 1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde
CAS No: 3012-80-4 Catalog No: AG007JHS MDL No:MFCD00142655
Product Description
Catalog Number:
AG007JHS
Chemical Name:
1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde
CAS Number:
3012-80-4
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD00142655
IUPAC Name:
1-methylbenzimidazole-2-carbaldehyde
InChI:
InChI=1S/C9H8N2O/c1-11-8-5-3-2-4-7(8)10-9(11)6-12/h2-6H,1H3
InChI Key:
SIRPHJCQZYVEES-UHFFFAOYSA-N
SMILES:
O=Cc1nc2c(n1C)cccc2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| A versatile synthesis of pyrazolo[3,4-c]isoquinoline derivatives by reaction of 4-aryl-5-aminopyrazoles with aryl/heteroaryl aldehydes: the effect of the heterocycle on the reaction pathways. | Organic & biomolecular chemistry 20050307 |
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