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Home > Indoles and Oxindole > 1464-11-5
1464-11-5 | 1H-Indole-3-acetonitrile, 4-(phenylmethoxy)-
CAS No: 1464-11-5 Catalog No: AG001DZ8 MDL No:MFCD07368281
Product Description
Catalog Number:
AG001DZ8
Chemical Name:
1H-Indole-3-acetonitrile, 4-(phenylmethoxy)-
CAS Number:
1464-11-5
Molecular Formula:
C17H14N2O
Molecular Weight:
262.3059
MDL Number:
MFCD07368281
IUPAC Name:
2-(4-phenylmethoxy-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C17H14N2O/c18-10-9-14-11-19-15-7-4-8-16(17(14)15)20-12-13-5-2-1-3-6-13/h1-8,11,19H,9,12H2
InChI Key:
OCROQGOQZBRSBQ-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1c(ccc2)OCc1ccccc1
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
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