Cas no 637022-54-9 (1H-Pyrazole-1-acetic acid, 5-(azidomethyl)-4-chloro-3-(trifluoromethyl)-)
637022-54-9 structure
Product Name:1H-Pyrazole-1-acetic acid, 5-(azidomethyl)-4-chloro-3-(trifluoromethyl)-
CAS No:637022-54-9
MF:C7H5ClF3N5O2
MW:283.595109701157
CID:1667456
PubChem ID:21071157
Update Time:2025-04-21
1H-Pyrazole-1-acetic acid, 5-(azidomethyl)-4-chloro-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-1-acetic acid, 5-(azidomethyl)-4-chloro-3-(trifluoromethyl)-
- DTXSID101153239
- 5-(Azidomethyl)-4-chloro-3-(trifluoromethyl)-1H-pyrazole-1-acetic acid
- SCHEMBL13682568
- (5-Azidomethyl-4-chloro-3-trifluoromethyl-pyrazol-1-yl)-acetic acid
- 637022-54-9
-
- Inchi: 1S/C7H5ClF3N5O2/c8-5-3(1-13-15-12)16(2-4(17)18)14-6(5)7(9,10)11/h1-2H2,(H,17,18)
- InChI Key: XWNIDICBAKIVFV-UHFFFAOYSA-N
- SMILES: ClC1C(C(F)(F)F)=NN(CC(=O)O)C=1CN=[N+]=[N-]
Computed Properties
- Exact Mass: 283.00855
- Monoisotopic Mass: 283.0083866g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 373
- 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: 2.4
- Topological Polar Surface Area: 69.5?2
Experimental Properties
- PSA: 103.88
1H-Pyrazole-1-acetic acid, 5-(azidomethyl)-4-chloro-3-(trifluoromethyl)- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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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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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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