Cas no 1258635-70-9 (5-(3-Benzyloxyphenyl)-2-chloronicotinic acid)
1258635-70-9 structure
Product Name:5-(3-Benzyloxyphenyl)-2-chloronicotinic acid
CAS No:1258635-70-9
MF:C19H14ClNO3
MW:339.772364139557
CID:2761028
PubChem ID:53224545
Update Time:2025-04-21
5-(3-Benzyloxyphenyl)-2-chloronicotinic acid Chemical and Physical Properties
Names and Identifiers
-
- MFCD18084405
- 5-[3-(Benzyloxy)phenyl]-2-chloropyridine-3-carboxylic acid
- DTXSID30688431
- 5-(3-Benzyloxyphenyl)-2-chloronicotinic acid, 95%
- 1258635-70-9
- 5-(3-BENZYLOXYPHENYL)-2-CHLORONICOTINIC ACID
- 5-(3-Benzyloxyphenyl)-2-chloronicotinic acid
-
- Inchi： 1S/C19H14ClNO3/c20-18-17(19(22)23)10-15(11-21-18)14-7-4-8-16(9-14)24-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,22,23)
- InChI Key： QJBAFKUWWNFWGO-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)O)C=C(C=N1)C1C=CC=C(C=1)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 339.0662210Da
- Monoisotopic Mass: 339.0662210Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 413
- 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: 4.4
- Topological Polar Surface Area: 59.4?2
5-(3-Benzyloxyphenyl)-2-chloronicotinic acid Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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