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915954-09-5 | 1H-Indole, 1-[(1R)-3-chloro-1-phenylpropyl]-
CAS No: 915954-09-5 Catalog No: AG006FW4 MDL No:
Product Description
Catalog Number:
AG006FW4
Chemical Name:
1H-Indole, 1-[(1R)-3-chloro-1-phenylpropyl]-
CAS Number:
915954-09-5
Molecular Formula:
C17H16ClN
Molecular Weight:
269.7686
IUPAC Name:
1-[(1R)-3-chloro-1-phenylpropyl]indole
InChI:
InChI=1S/C17H16ClN/c18-12-10-17(14-6-2-1-3-7-14)19-13-11-15-8-4-5-9-16(15)19/h1-9,11,13,17H,10,12H2/t17-/m1/s1
InChI Key:
GWJGECXRLOKBAW-QGZVFWFLSA-N
SMILES:
ClCC[C@@H](n1ccc2c1cccc2)c1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
269.097g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.772g/mol
Monoisotopic Mass:
269.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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