Cas no 923283-70-9 (1H-Pyrazole-3-carboxylic acid, 4-nitro-, 2-chloroethyl ester)
923283-70-9 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 4-nitro-, 2-chloroethyl ester
CAS No:923283-70-9
MF:C6H6ClN3O4
MW:219.582540035248
CID:737846
PubChem ID:68372777
Update Time:2025-04-19
1H-Pyrazole-3-carboxylic acid, 4-nitro-, 2-chloroethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxylic acid, 4-nitro-, 2-chloroethyl ester
- 2-chloroethyl 4-nitro-1H-pyrazole-5-carboxylate
- 923283-70-9
- SCHEMBL12763866
- 1H-Pyrazole-3-carboxylicacid,4-nitro-,2-chloroethylester
- DTXSID90738264
-
- Inchi: 1S/C6H6ClN3O4/c7-1-2-14-6(11)5-4(10(12)13)3-8-9-5/h3H,1-2H2,(H,8,9)
- InChI Key: PRIMHRBAKUUETM-UHFFFAOYSA-N
- SMILES: ClCCOC(C1=C(C=NN1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 219.0046834g/mol
- Monoisotopic Mass: 219.0046834g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 232
- 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: 0.8
- Topological Polar Surface Area: 101?2
1H-Pyrazole-3-carboxylic acid, 4-nitro-, 2-chloroethyl ester Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
923283-70-9 (1H-Pyrazole-3-carboxylic acid, 4-nitro-, 2-chloroethyl ester) Related Products
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