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1,3-dichloro-5,6,7,8-tetrahydroisoquinoline

1,3-dichloro-5,6,7,8-tetrahydroisoquinoline

CAS: 38969-63-0

Formula: C9H9Cl2N

SMILES: ClC1=CC2=C(CCCC2)C(Cl)=N1

IUPAC: 1,3-dichloro-5,6,7,8-tetrahydroisoquinoline

InChI: InChI=1S/C9H9Cl2N/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h5H,1-4H2

Composition: C (53.49%), H (4.49%), Cl (35.09%), N (6.93%)

Molar Mass: 202.08

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 201.0112047
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey VOOZWGPLJMWMTA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.12
Topological Polar Surface Area 12.89
Polarizability 19.8
Ring Count 2
Rotatable Bond Count 0

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