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Home > Indoles and Oxindole > 19013-50-4
19013-50-4 | 1H-Indole, 3-methyl-2-(phenylmethyl)-
CAS No: 19013-50-4 Catalog No: AG002ECQ MDL No:
Product Description
Catalog Number:
AG002ECQ
Chemical Name:
1H-Indole, 3-methyl-2-(phenylmethyl)-
CAS Number:
19013-50-4
Molecular Formula:
C16H15N
Molecular Weight:
221.2970
IUPAC Name:
2-benzyl-3-methyl-1H-indole
InChI:
InChI=1S/C16H15N/c1-12-14-9-5-6-10-15(14)17-16(12)11-13-7-3-2-4-8-13/h2-10,17H,11H2,1H3
InChI Key:
IJCUBGSXWJAIOE-UHFFFAOYSA-N
SMILES:
Cc1c(Cc2ccccc2)[nH]c2c1cccc2
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.303g/mol
Monoisotopic Mass:
221.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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