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114648-66-7 | 1H-Indole, 2-(1H-indol-3-ylmethyl)-
CAS No: 114648-66-7 Catalog No: AG000EX0 MDL No:MFCD22683840
Product Description
Catalog Number:
AG000EX0
Chemical Name:
1H-Indole, 2-(1H-indol-3-ylmethyl)-
CAS Number:
114648-66-7
Molecular Formula:
C17H14N2
Molecular Weight:
246.3065
MDL Number:
MFCD22683840
IUPAC Name:
2-(1H-indol-3-ylmethyl)-1H-indole
InChI:
InChI=1S/C17H14N2/c1-3-7-16-12(5-1)9-14(19-16)10-13-11-18-17-8-4-2-6-15(13)17/h1-9,11,18-19H,10H2
InChI Key:
SHXKYUYEFDONQC-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(c[nH]2)Cc1cc2c([nH]1)cccc2
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.313g/mol
Monoisotopic Mass:
246.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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