Cas no 161373-48-4 (3-Cinnolinecarboxylicacid, 4-amino-6,7-dichloro-)
161373-48-4 structure
Product Name:3-Cinnolinecarboxylicacid, 4-amino-6,7-dichloro-
CAS No:161373-48-4
MF:C9H5Cl2N3O2
MW:258.060899496078
CID:184921
PubChem ID:461801
Update Time:2025-04-19
3-Cinnolinecarboxylicacid, 4-amino-6,7-dichloro- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cinnolinecarboxylicacid, 4-amino-6,7-dichloro-
- 4-amino-6,7-dichlorocinnoline-3-carboxylic acid
- 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate
- 4-Amino-6,7-dichloro-3-cinnolinecarboxylic acid hydrate
- AC1LA4VX
- AG-E-11052
- CTK0H9433
- LS-54274
- NSC669312
- NSC-669312
- DTXSID10167133
- 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-
- 4-amino-6,7-dichloro-cinnoline-3-carboxylic acid
- CHEMBL1969977
- 161373-48-4
- NCI60_024154
-
- Inchi： 1S/C9H5Cl2N3O2/c10-4-1-3-6(2-5(4)11)13-14-8(7(3)12)9(15)16/h1-2H,(H2,12,13)(H,15,16)
- InChI Key： IMBXVSYZRSVZCD-UHFFFAOYSA-N
- SMILES： ClC1C(=CC2=C(C=1)C(=C(C(=O)O)N=N2)N)Cl
Computed Properties
- Exact Mass: 256.97605
- Monoisotopic Mass: 256.9758818g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 292
- 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: 2.2
- Topological Polar Surface Area: 89.1?2
Experimental Properties
- PSA: 89.1
3-Cinnolinecarboxylicacid, 4-amino-6,7-dichloro- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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