Cas no 447401-95-8 ((5-chloro-3-difluoromethyl-1-methyl-1H-pyrazol-4-yl)-methanol)
447401-95-8 structure
Product Name:(5-chloro-3-difluoromethyl-1-methyl-1H-pyrazol-4-yl)-methanol
CAS No:447401-95-8
MF:C6H7ClF2N2O
MW:196.582387208939
CID:2643644
PubChem ID:17862871
Update Time:2025-04-21
(5-chloro-3-difluoromethyl-1-methyl-1H-pyrazol-4-yl)-methanol Chemical and Physical Properties
Names and Identifiers
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- 447401-95-8
- (5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)methanol
- CS-0380042
- AKOS012188264
- SCHEMBL3384730
- (5-chloro-3-difluoromethyl-1-methyl-1H-pyrazol-4-yl)-methanol
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- Inchi： 1S/C6H7ClF2N2O/c1-11-5(7)3(2-12)4(10-11)6(8)9/h6,12H,2H2,1H3
- InChI Key： OWJSUNGDWUHQDU-UHFFFAOYSA-N
- SMILES： ClC1=C(CO)C(C(F)F)=NN1C
Computed Properties
- Exact Mass: 196.0214969Da
- Monoisotopic Mass: 196.0214969Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 160
- 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: 38.1?2
(5-chloro-3-difluoromethyl-1-methyl-1H-pyrazol-4-yl)-methanol Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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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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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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