Cas no 1067613-65-3 (3-Bromo-4-(1-methyl-1H-pyrazol-5-yl)benzoic acid)
1067613-65-3 structure
Product Name:3-Bromo-4-(1-methyl-1H-pyrazol-5-yl)benzoic acid
CAS No:1067613-65-3
MF:C11H9BrN2O2
MW:281.105361700058
CID:2113500
Update Time:2023-08-04
3-Bromo-4-(1-methyl-1H-pyrazol-5-yl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-bromo-4-(1-methyl-1H-pyrazol-5-yl)Benzoic acid
- YGKWHAVWUPNZLV-UHFFFAOYSA-N
- 3-Bromo-4-(1-methyl-1H-pyrazol-5-yl)benzoic acid
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- Inchi： 1S/C11H9BrN2O2/c1-14-10(4-5-13-14)8-3-2-7(11(15)16)6-9(8)12/h2-6H,1H3,(H,15,16)
- InChI Key： YGKWHAVWUPNZLV-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=O)O)C=CC=1C1=CC=NN1C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 275
- Topological Polar Surface Area: 55.1
3-Bromo-4-(1-methyl-1H-pyrazol-5-yl)benzoic acid Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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