Cas no 61588-15-6 (3-Cinnolinecarboxylic acid, 6-bromo-1,4-dihydro-1-methyl-4-oxo-)
61588-15-6 structure
Product Name:3-Cinnolinecarboxylic acid, 6-bromo-1,4-dihydro-1-methyl-4-oxo-
CAS No:61588-15-6
MF:C10H7BrN2O3
MW:283.078181505203
CID:473830
PubChem ID:12318697
Update Time:2025-04-19
3-Cinnolinecarboxylic acid, 6-bromo-1,4-dihydro-1-methyl-4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cinnolinecarboxylic acid, 6-bromo-1,4-dihydro-1-methyl-4-oxo-
- 6-bromo-1-methyl-4-oxocinnoline-3-carboxylic acid
- 6-Bromo-1-methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid
- DTXSID00488162
- 61588-15-6
-
- Inchi： 1S/C10H7BrN2O3/c1-13-7-3-2-5(11)4-6(7)9(14)8(12-13)10(15)16/h2-4H,1H3,(H,15,16)
- InChI Key： IDTRJVIGDSFKBW-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1)C(C(C(=O)O)=NN2C)=O
Computed Properties
- Exact Mass: 281.96401
- Monoisotopic Mass: 281.96400g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 369
- 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: 2.6
- Topological Polar Surface Area: 70?2
Experimental Properties
- PSA: 69.97
3-Cinnolinecarboxylic acid, 6-bromo-1,4-dihydro-1-methyl-4-oxo- Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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