Cas no 202842-95-3 (N-hydroxymethyl-4-chloro-3-methylpyrazole)
202842-95-3 structure
Product Name:N-hydroxymethyl-4-chloro-3-methylpyrazole
CAS No:202842-95-3
MF:C5H7ClN2O
MW:146.57487988472
CID:2840443
PubChem ID:11423670
Update Time:2025-04-21
N-hydroxymethyl-4-chloro-3-methylpyrazole Chemical and Physical Properties
Names and Identifiers
-
- PEXMTQCPTOIQMB-UHFFFAOYSA-N
- N-hydroxymethyl-4-chloro-3-methylpyrazole
- 202842-95-3
- (4-chloro-3-methyl-1H-pyrazol-1-yl)methanol
- DTXSID50465342
- SCHEMBL6862765
-
- Inchi： 1S/C5H7ClN2O/c1-4-5(6)2-8(3-9)7-4/h2,9H,3H2,1H3
- InChI Key： PEXMTQCPTOIQMB-UHFFFAOYSA-N
- SMILES： ClC1=CN(CO)N=C1C
Computed Properties
- Exact Mass: 146.0246905g/mol
- Monoisotopic Mass: 146.0246905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 101
- 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: 0.6
- Topological Polar Surface Area: 38?2
N-hydroxymethyl-4-chloro-3-methylpyrazole Related Literature
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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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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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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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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
202842-95-3 (N-hydroxymethyl-4-chloro-3-methylpyrazole) Related Products
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