Cas no 1198436-60-0 (Methyl 4-chloro-1-(1-methylethyl)-1H-pyrazole-5-carboxylate)
1198436-60-0 structure
Product Name:Methyl 4-chloro-1-(1-methylethyl)-1H-pyrazole-5-carboxylate
CAS No:1198436-60-0
MF:C8H11ClN2O2
MW:202.638140916824
CID:2116686
Update Time:2023-08-04
Methyl 4-chloro-1-(1-methylethyl)-1H-pyrazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
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- methyl 4-chloro-1-isopropyl-1H-pyrazole-5-carboxylate
- MFVKNIRJUQBJGC-UHFFFAOYSA-N
- Methyl 4-chloro-1-(1-methylethyl)-1H-pyrazole-5-carboxylate
-
- Inchi： 1S/C8H11ClN2O2/c1-5(2)11-7(8(12)13-3)6(9)4-10-11/h4-5H,1-3H3
- InChI Key： MFVKNIRJUQBJGC-UHFFFAOYSA-N
- SMILES： ClC1C=NN(C=1C(=O)OC)C(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 199
- Topological Polar Surface Area: 44.1
Methyl 4-chloro-1-(1-methylethyl)-1H-pyrazole-5-carboxylate Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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