Cas no 137715-44-7 (1H-Pyrazole, 1-(2-chloro-1-oxopropyl)- (9CI))
137715-44-7 structure
Product Name:1H-Pyrazole, 1-(2-chloro-1-oxopropyl)- (9CI)
CAS No:137715-44-7
MF:C6H7ClN2O
MW:158.58558011055
CID:855690
PubChem ID:45080721
Update Time:2025-04-19
1H-Pyrazole, 1-(2-chloro-1-oxopropyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole, 1-(2-chloro-1-oxopropyl)- (9CI)
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- Inchi： 1S/C6H7ClN2O/c1-5(7)6(10)9-4-2-3-8-9/h2-5H,1H3
- InChI Key： WJFVGVYQKMGQAQ-UHFFFAOYSA-N
- SMILES： ClC(C)C(N1C=CC=N1)=O
Computed Properties
- Exact Mass: 158.02481
- Monoisotopic Mass: 158.0246905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 140
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- PSA: 34.89
1H-Pyrazole, 1-(2-chloro-1-oxopropyl)- (9CI) Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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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
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