Cas no 113100-63-3 (1H-Pyrazole-4-carbonylchloride, 3-methyl-1-(2-propen-1-yl)-)
113100-63-3 structure
Product Name:1H-Pyrazole-4-carbonylchloride, 3-methyl-1-(2-propen-1-yl)-
CAS No:113100-63-3
MF:C8H9ClN2O
MW:184.62286067009
CID:130047
PubChem ID:15616730
Update Time:2025-04-19
1H-Pyrazole-4-carbonylchloride, 3-methyl-1-(2-propen-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carbonylchloride, 3-methyl-1-(2-propen-1-yl)-
- 1H-Pyrazole-4-carbonyl chloride, 3-methyl-1-(2-propenyl)- (9CI)
- 3-methyl-1-prop-2-enylpyrazole-4-carbonyl chloride
- 113100-63-3
- DTXSID10575779
- 1-Allyl-3-methyl-1H-pyrazole-4-carbonyl chloride
- 3-Methyl-1-(prop-2-en-1-yl)-1H-pyrazole-4-carbonyl chloride
- SCHEMBL3063888
-
- Inchi： 1S/C8H9ClN2O/c1-3-4-11-5-7(8(9)12)6(2)10-11/h3,5H,1,4H2,2H3
- InChI Key： ZSRDIHHMXULAOH-UHFFFAOYSA-N
- SMILES： ClC(C1=CN(CC=C)N=C1C)=O
Computed Properties
- Exact Mass: 184.04047
- Monoisotopic Mass: 184.0403406g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 196
- 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: 1.9
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- PSA: 34.89
1H-Pyrazole-4-carbonylchloride, 3-methyl-1-(2-propen-1-yl)- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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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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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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