Compound C16H17ClN2

6-(4-chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine

CAS: 13958-79-7

Molecular Formula	`C16H17ClN2`
Molecular Weight	272.77 g/mol
LogP	2.8
Topological Polar Surface Area	24.1 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	1
Exact Mass	272.10803
Heavy Atoms	19
Complexity	276.0

Chemical Identifiers

CAS Number	13958-79-7
SMILES	`C1CNC(C2=CC=CC=C2CN1)C3=CC=C(C=C3)Cl`
InChIKey	`BIRFBGKBJMZZJI-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H17ClN2 (CAS: 13958-79-7) is a chemical compound with molecular formula C16H17ClN2 and molecular weight 272.77 g/mol. Its IUPAC systematic name is 6-(4-chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine. LogP 2.8 Topological Polar Surface Area 24.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 2 Rotatable Bonds 1 Exact Mass 272.10803 Heavy Atoms 19 Complexity 276.0 InChI Key: BIRFBGKBJMZZJI-UHFFFAOYSA-N. SMILES: C1CNC(C2=CC=CC=C2CN1)C3=CC=C(C=C3)Cl.

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