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6-bromo-1,2,3,4-tetrahydroquinoline hydrochloride

6-bromo-1,2,3,4-tetrahydroquinoline hydrochloride

CAS: 1050161-23-3

Formula: C9H11BrClN

SMILES: Cl.BrC1=CC=C2NCCCC2=C1

IUPAC: 6-bromo-1,2,3,4-tetrahydroquinoline hydrochloride

InChI: InChI=1S/C9H10BrN.ClH/c10-8-3-4-9-7(6-8)2-1-5-11-9;/h3-4,6,11H,1-2,5H2;1H

Composition: C (43.49%), H (4.46%), Br (32.15%), Cl (14.26%), N (5.64%)

Molar Mass: 248.55

Atom Count: 23

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 246.97634
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey FKCOBRNCTDQDBY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.79
Topological Polar Surface Area 12.03
Polarizability 18.94
Ring Count 2
Rotatable Bond Count 0

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