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872674-53-8 | 1H-Indole-3-ethanol, 5-chloro-1-(diphenylmethyl)-2-phenyl-
CAS No: 872674-53-8 Catalog No: AG004I9X MDL No:
Product Description
Catalog Number:
AG004I9X
Chemical Name:
1H-Indole-3-ethanol, 5-chloro-1-(diphenylmethyl)-2-phenyl-
CAS Number:
872674-53-8
Molecular Formula:
C29H24ClNO
Molecular Weight:
437.9600
IUPAC Name:
2-(1-benzhydryl-5-chloro-2-phenylindol-3-yl)ethanol
InChI:
InChI=1S/C29H24ClNO/c30-24-16-17-27-26(20-24)25(18-19-32)29(23-14-8-3-9-15-23)31(27)28(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-17,20,28,32H,18-19H2
InChI Key:
ADLIIZPWCYCFCF-UHFFFAOYSA-N
SMILES:
OCCc1c2cc(Cl)ccc2n(c1c1ccccc1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.155g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
437.967g/mol
Monoisotopic Mass:
437.155g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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