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Home > Indoles and Oxindole > 2436-15-9
2436-15-9 | 2-(5-(Benzyloxy);-1H-indol-3-yl);acetonitrile
CAS No: 2436-15-9 Catalog No: AG003EXO MDL No:MFCD00022730
Product Description
Catalog Number:
AG003EXO
Chemical Name:
2-(5-(Benzyloxy);-1H-indol-3-yl);acetonitrile
CAS Number:
2436-15-9
Molecular Formula:
C17H14N2O
Molecular Weight:
262.3059
MDL Number:
MFCD00022730
IUPAC Name:
2-(5-phenylmethoxy-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C17H14N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8,12H2
InChI Key:
ADPRFNVFBYHCJQ-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1cc(OCc1ccccc1)cc2
NSC Number:
73391
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.312g/mol
Monoisotopic Mass:
262.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| 5-benzyloxytryptamine as an antagonist of TRPM8. | Bioorganic & medicinal chemistry letters 20101201 |
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