Cas no 149849-95-6 (2-Chloropyrimidine-4-carboxylic acid)
149849-95-6 structure
Product Name:2-Chloropyrimidine-4-carboxylic acid
CAS No:149849-95-6
MF:C5H3ClN2O2
MW:158.542519807816
CID:2778633
PubChem ID:22135751
Update Time:2025-04-21
2-Chloropyrimidine-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-Chloropyrimidine-4-carboxylic acid
- BBL101132
- 2-Chloro-pyrimidine-4-carboxylic acid
- CS-W008759
- 689-824-5
- AB28457
- 2-chloropyrimidin-4-carboxylic acid
- DB-024777
- Z1201623752
- 4-PYRIMIDINECARBOXYLIC ACID, 2-CHLORO-
- 2-chloropyrimidine-4-carboxylicacid
- PS-5591
- AC-22339
- 149849-95-6
- DTXSID00622741
- 149849-92-3
- SB33780
- SCHEMBL319105
- MFCD06739041
- YMDSUQSBJRDYLI-UHFFFAOYSA-N
- DTXCID90573495
- STL554928
- 2-Chloro-pyrimidine-4-carboxylicacid
- EN300-93606
- AKOS005256988
- 4-Carboxy-2-chloropyrimidine
- SY009367
- 2-CHLORO-4-PYRIMIDINECARBOXYLIC ACID
- BCP06806
-
- Inchi： 1S/C5H3ClN2O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)
- InChI Key： YMDSUQSBJRDYLI-UHFFFAOYSA-N
- SMILES： ClC1=NC=CC(C(=O)O)=N1
Computed Properties
- Exact Mass: 157.9883050Da
- Monoisotopic Mass: 157.9883050Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 142
- 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: 1
- Topological Polar Surface Area: 63.1?2
2-Chloropyrimidine-4-carboxylic acid Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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