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Basic Information
CAS No.: 75416-50-1
Name: 8-CHLORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
Article Data: 1
Molecular Structure:
Molecular Structure of 75416-50-1 (8-CHLORO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE)
Formula: C9H10ClN
Molecular Weight: 167.638
Synonyms: Isoquinoline,8-chloro-1,2,3,4-tetrahydro;8-Chloro-1,2,3,4-tetrahydro-isoquinoline;
Density: 1.162±0.06 g/cm3(Predicted)
Boiling Point: 276.5±40.0 °C(Predicted)
PSA: 12.03000
LogP: 2.31450
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Chemistry

Molecular Structure of 8-Chloro-1,2,3,4-tetrahydroisoquinoline  (CAS NO.75416-50-1):

IUPAC Name: 8-Chloro-1,2,3,4-tetrahydroisoquinoline
Molecular Weight: 167.6354 [g/mol]
Molecular Formula: C9H10ClN
XLogP3-AA: 2
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 0
Exact Mass: 167.050177
MonoIsotopic Mass: 167.050177
Topological Polar Surface Area: 12
Heavy Atom Count: 11
Complexity: 138 
Mol File: 75416-50-1.mol 
Canonical SMILES: C1CNCC2=C1C=CC=C2Cl
InChI: InChI=1S/C9H10ClN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2
InChIKey: HQSAGIBNZOOQQL-UHFFFAOYSA-N

Specification

 8-Chloro-1,2,3,4-tetrahydroisoquinoline  (CAS NO.75416-50-1), its Synonyms are 8-Chloro-1,2,3,4-tetrahydro-isoquinoline ; C90103 .