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209347-97-7 | Hexadecanoic acid, 5-bromo-6-chloro-1H-indol-3-yl ester
CAS No: 209347-97-7 Catalog No: AG002K6O MDL No:MFCD00798391
Product Description
Catalog Number:
AG002K6O
Chemical Name:
Hexadecanoic acid, 5-bromo-6-chloro-1H-indol-3-yl ester
CAS Number:
209347-97-7
Molecular Formula:
C24H35BrClNO2
Molecular Weight:
484.8972
MDL Number:
MFCD00798391
IUPAC Name:
(5-bromo-6-chloro-1H-indol-3-yl) hexadecanoate
InChI:
InChI=1S/C24H35BrClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28)29-23-18-27-22-17-21(26)20(25)16-19(22)23/h16-18,27H,2-15H2,1H3
InChI Key:
MGKOVBOTMHBOLI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)Oc1c[nH]c2c1cc(Br)c(c2)Cl
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
483.154g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
484.903g/mol
Monoisotopic Mass:
483.154g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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