Cas no 808115-64-2 (3-Isoquinolinecarboxylic acid, 1-bromo-4-hydroxy-7-phenoxy-)
808115-64-2 structure
Product Name:3-Isoquinolinecarboxylic acid, 1-bromo-4-hydroxy-7-phenoxy-
CAS No:808115-64-2
MF:C16H10BrNO4
MW:360.158903598785
CID:4196208
PubChem ID:86014523
Update Time:2025-04-24
3-Isoquinolinecarboxylic acid, 1-bromo-4-hydroxy-7-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoquinolinecarboxylic acid, 1-bromo-4-hydroxy-7-phenoxy-
- ROXA-007
- DOZIWXYUIFZJCE-UHFFFAOYSA-N
- 808115-64-2
- 1-bromo-4-hydroxy-7-phenoxyisoquinoline-3-carboxylic acid
- DB-121314
- 1-Bromo-4-hydroxy-7-phenoxy-isoquinoline-3-carboxylic acid
- SCHEMBL523237
- starbld0001018
-
- Inchi： 1S/C16H10BrNO4/c17-15-12-8-10(22-9-4-2-1-3-5-9)6-7-11(12)14(19)13(18-15)16(20)21/h1-8,19H,(H,20,21)
- InChI Key： DOZIWXYUIFZJCE-UHFFFAOYSA-N
- SMILES： C1(Br)C2=C(C=CC(OC3=CC=CC=C3)=C2)C(O)=C(C(O)=O)N=1
Computed Properties
- Exact Mass: 358.97932Da
- Monoisotopic Mass: 358.97932Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 402
- 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: 79.7?2
3-Isoquinolinecarboxylic acid, 1-bromo-4-hydroxy-7-phenoxy- Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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