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6-bromo-1H,2H,3H,4H,5H-pyrido[4,3-b]indole hydrochloride

6-bromo-1H,2H,3H,4H,5H-pyrido[4,3-b]indole hydrochloride

CAS: 1059630-11-3

Formula: C11H12BrClN2

SMILES: Cl.BrC1=C2NC3=C(CNCC3)C2=CC=C1

IUPAC: 6-bromo-1H,2H,3H,4H,5H-pyrido[4,3-b]indole hydrochloride

InChI: InChI=1S/C11H11BrN2.ClH/c12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9;/h1-3,13-14H,4-6H2;1H

Composition: C (45.94%), H (4.21%), Br (27.78%), Cl (12.33%), N (9.74%)

Molar Mass: 287.59

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 285.987239
Formal Charge 0
FSP3 0.27
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey RIOARCKAKZEZCG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.31
Topological Polar Surface Area 27.82
Polarizability 24.44
Ring Count 3
Rotatable Bond Count 0

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