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69743-43-7 | Isoquinoline, 7-chloro-3,4-dihydro-1-phenyl-, hydrochloride
CAS No: 69743-43-7 Catalog No: AG005I9U MDL No:
Product Description
Catalog Number:
AG005I9U
Chemical Name:
Isoquinoline, 7-chloro-3,4-dihydro-1-phenyl-, hydrochloride
CAS Number:
69743-43-7
Molecular Formula:
C15H13Cl2N
Molecular Weight:
278.1764
IUPAC Name:
7-chloro-1-phenyl-3,4-dihydroisoquinoline;hydrochloride
InChI:
InChI=1S/C15H12ClN.ClH/c16-13-7-6-11-8-9-17-15(14(11)10-13)12-4-2-1-3-5-12;/h1-7,10H,8-9H2;1H
InChI Key:
AYMRNYITRVHDGM-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)C(=NCC2)c1ccccc1.Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.176g/mol
Monoisotopic Mass:
277.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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