4-bromo-3-(2-chloroethyl)-1H-indole

4-bromo-3-(2-chloroethyl)-1H-indole

CAS: 1260899-38-4

Formula: C10H9BrClN

SMILES: ClCCC1=CNC2=CC=CC(Br)=C12

IUPAC: 4-bromo-3-(2-chloroethyl)-1H-indole

InChI: InChI=1S/C10H9BrClN/c11-8-2-1-3-9-10(8)7(4-5-12)6-13-9/h1-3,6,13H,4-5H2

Composition: C (46.46%), H (3.51%), Br (30.91%), Cl (13.71%), N (5.42%)

Molar Mass: 258.54

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	256.96069
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	1
InChIKey	CKLLVDIFXKBLIO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.39
Topological Polar Surface Area	15.79
Polarizability	23.67
Ring Count	2
Rotatable Bond Count	2

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