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Home > Imidazoles > 61985-32-8
61985-32-8 | (imidazol-4-yl)(phenyl)methanone
CAS No: 61985-32-8 Catalog No: AG00EL45 MDL No:MFCD00956501
Product Description
Catalog Number:
AG00EL45
Chemical Name:
(imidazol-4-yl)(phenyl)methanone
CAS Number:
61985-32-8
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD00956501
IUPAC Name:
1H-imidazol-5-yl(phenyl)methanone
InChI:
InChI=1S/C10H8N2O/c13-10(9-6-11-7-12-9)8-4-2-1-3-5-8/h1-7H,(H,11,12)
InChI Key:
DECHVIXTYBTMBL-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]cn1)c1ccccc1
Properties
Complexity:
187
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:
1.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Cytotoxic activity of 5-benzoylimidazole and related compounds against human oral tumor cell lines. | Anticancer research 20010101 |
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