5-bromo-4-chloro-1H-indol-3-yl nonanoate

5-bromo-4-chloro-1H-indol-3-yl nonanoate

CAS: 133950-77-3

Formula: C17H21BrClNO2

SMILES: CCCCCCCCC(=O)OC1=CNC2=CC=C(Br)C(Cl)=C12

IUPAC: 5-bromo-4-chloro-1H-indol-3-yl nonanoate

InChI: InChI=1S/C17H21BrClNO2/c1-2-3-4-5-6-7-8-15(21)22-14-11-20-13-10-9-12(18)17(19)16(13)14/h9-11,20H,2-8H2,1H3

Composition: C (52.80%), H (5.47%), Br (20.66%), Cl (9.17%), N (3.62%), O (8.27%)

Molar Mass: 386.71

Atom Count: 43

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	385.04442
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	WLSCZNTXZOTUFQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	92.94
Topological Polar Surface Area	42.09
Polarizability	37.47
Ring Count	2
Rotatable Bond Count	9

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