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209347-96-6 | Hexadecanoic acid, 6-chloro-1H-indol-3-yl ester
CAS No: 209347-96-6 Catalog No: AG002K6P MDL No:MFCD00798393
Product Description
Catalog Number:
AG002K6P
Chemical Name:
Hexadecanoic acid, 6-chloro-1H-indol-3-yl ester
CAS Number:
209347-96-6
Molecular Formula:
C24H36ClNO2
Molecular Weight:
406.0011
MDL Number:
MFCD00798393
IUPAC Name:
(6-chloro-1H-indol-3-yl) hexadecanoate
InChI:
InChI=1S/C24H36ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(27)28-23-19-26-22-18-20(25)16-17-21(22)23/h16-19,26H,2-15H2,1H3
InChI Key:
GYQVOAOTWFXDDC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)Oc1c[nH]c2c1ccc(c2)Cl
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.243g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.007g/mol
Monoisotopic Mass:
405.243g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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