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14174-76-6 | Isoquinoline, 1-[2-(2-chlorophenyl)ethenyl]-
CAS No: 14174-76-6 Catalog No: AG001GYQ MDL No:
Product Description
Catalog Number:
AG001GYQ
Chemical Name:
Isoquinoline, 1-[2-(2-chlorophenyl)ethenyl]-
CAS Number:
14174-76-6
Molecular Formula:
C17H12ClN
Molecular Weight:
265.7369
IUPAC Name:
1-[2-(2-chlorophenyl)ethenyl]isoquinoline
InChI:
InChI=1S/C17H12ClN/c18-16-8-4-2-6-14(16)9-10-17-15-7-3-1-5-13(15)11-12-19-17/h1-12H
InChI Key:
OCWDQURUJGLNNU-UHFFFAOYSA-N
SMILES:
Clc1ccccc1C=Cc1nccc2c1cccc2
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.066g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.74g/mol
Monoisotopic Mass:
265.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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