Cas no 220461-90-5 (Benzoic acid, 2-chloro-4-(1-methyl-1H-pyrazol-5-yl)-)
220461-90-5 structure
Product Name:Benzoic acid, 2-chloro-4-(1-methyl-1H-pyrazol-5-yl)-
CAS No:220461-90-5
MF:C11H9ClN2O2
MW:236.654361486435
CID:1405792
Update Time:2024-08-15
Benzoic acid, 2-chloro-4-(1-methyl-1H-pyrazol-5-yl)- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-chloro-4-(1-methyl-1H-pyrazol-5-yl)-
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- Inchi： 1S/C11H9ClN2O2/c1-14-10(4-5-13-14)7-2-3-8(11(15)16)9(12)6-7/h2-6H,1H3,(H,15,16)
- InChI Key： FBPZJODZWRXFCI-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=CC=C(C2N(C)N=CC=2)C=C1Cl
Computed Properties
- Exact Mass: 236.03537
Experimental Properties
- Density: 1.38±0.1 g/cm3(Predicted)
- Boiling Point: 416.1±35.0 °C(Predicted)
- PSA: 55.12
- pka: 2.96±0.25(Predicted)
Benzoic acid, 2-chloro-4-(1-methyl-1H-pyrazol-5-yl)- Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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