Cas no 780712-04-1 (3,5-bis(chloromethyl)-1H-Pyrazole)
780712-04-1 structure
Product Name:3,5-bis(chloromethyl)-1H-Pyrazole
CAS No:780712-04-1
MF:C5H6Cl2N2
MW:165.020538806915
CID:1117676
PubChem ID:10998058
Update Time:2025-04-20
3,5-bis(chloromethyl)-1H-Pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 3,5-bis(chloromethyl)-1H-Pyrazole
- SCHEMBL3299976
- AKOS006385747
- 3,5-bis-(chloromethyl)pyrazole
- 780712-04-1
-
- Inchi： 1S/C5H6Cl2N2/c6-2-4-1-5(3-7)9-8-4/h1H,2-3H2,(H,8,9)
- InChI Key： MZGJUQSZWVIRFP-UHFFFAOYSA-N
- SMILES： ClCC1=CC(CCl)=NN1
Computed Properties
- Exact Mass: 163.9908036g/mol
- Monoisotopic Mass: 163.9908036g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 89
- 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: 1.1
- Topological Polar Surface Area: 28.7?2
3,5-bis(chloromethyl)-1H-Pyrazole Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
780712-04-1 (3,5-bis(chloromethyl)-1H-Pyrazole) Related Products
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