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159954-35-5 | Octanoic acid, 6-chloro-1H-indol-3-yl ester
CAS No: 159954-35-5 Catalog No: AG001RJJ MDL No:MFCD00798392
Product Description
Catalog Number:
AG001RJJ
Chemical Name:
Octanoic acid, 6-chloro-1H-indol-3-yl ester
CAS Number:
159954-35-5
Molecular Formula:
C16H20ClNO2
Molecular Weight:
293.7885
MDL Number:
MFCD00798392
IUPAC Name:
(6-chloro-1H-indol-3-yl) octanoate
InChI:
InChI=1S/C16H20ClNO2/c1-2-3-4-5-6-7-16(19)20-15-11-18-14-10-12(17)8-9-13(14)15/h8-11,18H,2-7H2,1H3
InChI Key:
KBOGGXOQZZEFSL-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)Oc1c[nH]c2c1ccc(c2)Cl
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.118g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.791g/mol
Monoisotopic Mass:
293.118g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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