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Home > Indoles and Oxindole > 2439-68-1
2439-68-1 | 5-(Benzyloxy)-1-methyl-1H-indole
CAS No: 2439-68-1 Catalog No: AG00BG53 MDL No:MFCD00022893
Product Description
Catalog Number:
AG00BG53
Chemical Name:
5-(Benzyloxy)-1-methyl-1H-indole
CAS Number:
2439-68-1
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
MDL Number:
MFCD00022893
IUPAC Name:
1-methyl-5-phenylmethoxyindole
InChI:
InChI=1S/C16H15NO/c1-17-10-9-14-11-15(7-8-16(14)17)18-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChI Key:
JMFZKYABNMMQHH-UHFFFAOYSA-N
SMILES:
Cn1ccc2c1ccc(c2)OCc1ccccc1
NSC Number:
88889
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
14.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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 |
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