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10040-98-9 | Benzaldehyde, 4-(1H-imidazol-1-yl)-
CAS No: 10040-98-9 Catalog No: AG0001XN MDL No:MFCD00209977
Product Description
Catalog Number:
AG0001XN
Chemical Name:
Benzaldehyde, 4-(1H-imidazol-1-yl)-
CAS Number:
10040-98-9
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD00209977
IUPAC Name:
4-imidazol-1-ylbenzaldehyde
InChI:
InChI=1S/C10H8N2O/c13-7-9-1-3-10(4-2-9)12-6-5-11-8-12/h1-8H
InChI Key:
DCICUQFMCRPKHZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)n1cncc1
Properties
Complexity:
176
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:
0
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Anti-oxidant, anti-fungal and anti-leishmanial activities of novel 3-[4-(1H-imidazol-1-yl) phenyl]prop-2-en-1-ones. | European journal of medicinal chemistry 20091101 |
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