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133950-69-3

133950-69-3 | 5-Bromo-1H-indol-3-yl octanoate

CAS No: 133950-69-3 Catalog No: AG007MN9 MDL No:MFCD02683904

Product Description

Catalog Number:
AG007MN9
Chemical Name:
5-Bromo-1H-indol-3-yl octanoate
CAS Number:
133950-69-3
Molecular Formula:
C16H20BrNO2
Molecular Weight:
338.2395
MDL Number:
MFCD02683904
IUPAC Name:
(5-bromo-1H-indol-3-yl) octanoate
InChI:
InChI=1S/C16H20BrNO2/c1-2-3-4-5-6-7-16(19)20-15-11-18-14-9-8-12(17)10-13(14)15/h8-11,18H,2-7H2,1H3
InChI Key:
GQMJWOASOGSCSK-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)Oc1c[nH]c2c1cc(Br)cc2

Properties

Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.068g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
338.245g/mol
Monoisotopic Mass:
337.068g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  

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