Cas no 65810-96-0 (Isoquinoline, 1-chloro-4-phenyl-)
65810-96-0 structure
Product Name:Isoquinoline, 1-chloro-4-phenyl-
CAS No:65810-96-0
MF:C15H10ClN
MW:239.699602603912
CID:1691819
PubChem ID:12407725
Update Time:2025-04-21
Isoquinoline, 1-chloro-4-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 1-chloro-4-phenyl-
- 1-chloro-4-phenylisoquinoline
- SMIGICYHCZUSHY-UHFFFAOYSA-N
- SCHEMBL7126553
- DA-03867
- 65810-96-0
-
- Inchi： 1S/C15H10ClN/c16-15-13-9-5-4-8-12(13)14(10-17-15)11-6-2-1-3-7-11/h1-10H
- InChI Key： SMIGICYHCZUSHY-UHFFFAOYSA-N
- SMILES： ClC1=C2C=CC=CC2=C(C=N1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 239.0503
- Monoisotopic Mass: 239.0501770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 249
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.7
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- PSA: 12.89
Isoquinoline, 1-chloro-4-phenyl- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
65810-96-0 (Isoquinoline, 1-chloro-4-phenyl-) Related Products
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