Cas no 828942-67-2 (1H-Pyrazole-4-methanol, 3,5-dimethyl-, compd. with trichloromethane(1:1))
828942-67-2 structure
Product Name:1H-Pyrazole-4-methanol, 3,5-dimethyl-, compd. with trichloromethane(1:1)
CAS No:828942-67-2
MF:C7H11Cl3N2O
MW:245.53403878212
CID:680000
PubChem ID:71416689
Update Time:2025-04-19
1H-Pyrazole-4-methanol, 3,5-dimethyl-, compd. with trichloromethane(1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-methanol, 3,5-dimethyl-, compd. with trichloromethane(1:1)
- chloroform,(3,5-dimethyl-1H-pyrazol-4-yl)methanol
- DTXSID10836059
- 828942-67-2
- (3,5-Dimethyl-1H-pyrazol-4-yl)methanol--trichloromethane (1/1)
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- Inchi： 1S/C6H10N2O.CHCl3/c1-4-6(3-9)5(2)8-7-4;2-1(3)4/h9H,3H2,1-2H3,(H,7,8);1H
- InChI Key： QBNZFKDLAYWLDW-UHFFFAOYSA-N
- SMILES： ClC(Cl)Cl.OCC1C(C)=NNC=1C
Computed Properties
- Exact Mass: 243.993696g/mol
- Monoisotopic Mass: 243.993696g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 105
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 48.9?2
1H-Pyrazole-4-methanol, 3,5-dimethyl-, compd. with trichloromethane(1:1) Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
828942-67-2 (1H-Pyrazole-4-methanol, 3,5-dimethyl-, compd. with trichloromethane(1:1)) Related Products
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