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Home > Indoles and Oxindole > 118959-33-4
118959-33-4 | 1H-Indole-3-carbonitrile, 1-(phenylmethyl)-
CAS No: 118959-33-4 Catalog No: AG00HETZ MDL No:
Product Description
Catalog Number:
AG00HETZ
Chemical Name:
1H-Indole-3-carbonitrile, 1-(phenylmethyl)-
CAS Number:
118959-33-4
IUPAC Name:
1-benzylindole-3-carbonitrile
InChI:
InChI=1S/C16H12N2/c17-10-14-12-18(11-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,12H,11H2
InChI Key:
DMYNZVMECAXLQU-UHFFFAOYSA-N
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.286g/mol
Monoisotopic Mass:
232.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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 |
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