Cas no 89929-13-5 (3-Isoquinolinecarboxylic acid, 1-chloro-4-phenyl-)
89929-13-5 structure
Product Name:3-Isoquinolinecarboxylic acid, 1-chloro-4-phenyl-
CAS No:89929-13-5
MF:C16H10ClNO2
MW:283.709103107452
CID:585131
PubChem ID:13230069
Update Time:2025-04-19
3-Isoquinolinecarboxylic acid, 1-chloro-4-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoquinolinecarboxylic acid, 1-chloro-4-phenyl-
- 1-chloro-4-phenylisoquinoline-3-carboxylic acid
- DTXSID80530355
- 89929-13-5
-
- Inchi： 1S/C16H10ClNO2/c17-15-12-9-5-4-8-11(12)13(14(18-15)16(19)20)10-6-2-1-3-7-10/h1-9H,(H,19,20)
- InChI Key： HPDREXPVNPKCSD-UHFFFAOYSA-N
- SMILES： ClC1=C2C=CC=CC2=C(C(C(=O)O)=N1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 283.0400063g/mol
- Monoisotopic Mass: 283.0400063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 356
- 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: 4.5
- Topological Polar Surface Area: 50.2?2
3-Isoquinolinecarboxylic acid, 1-chloro-4-phenyl- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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