8-chloro-1,2,3,4-tetrahydroisoquinoline hydrochloride

8-chloro-1,2,3,4-tetrahydroisoquinoline hydrochloride

CAS: 61563-33-5

Formula: C9H11Cl2N

SMILES: Cl.ClC1=CC=CC2=C1CNCC2

IUPAC: 8-chloro-1,2,3,4-tetrahydroisoquinoline hydrochloride

InChI: InChI=1S/C9H10ClN.ClH/c10-9-3-1-2-7-4-5-11-6-8(7)9;/h1-3,11H,4-6H2;1H

Composition: C (52.97%), H (5.43%), Cl (34.74%), N (6.86%)

Molar Mass: 204.09

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	203.0268548
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	PYSJYEZRPVRRLV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.42
Topological Polar Surface Area	12.03
Polarizability	18.43
Ring Count	2
Rotatable Bond Count	0

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