Cas no 579474-85-4 (3-(4-pyridazinyl)-Benzoic acid methyl ester)
579474-85-4 structure
Product Name:3-(4-pyridazinyl)-Benzoic acid methyl ester
CAS No:579474-85-4
MF:C12H10N2O2
MW:214.220002651215
CID:1114350
PubChem ID:69489609
Update Time:2025-04-20
3-(4-pyridazinyl)-Benzoic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-(4-pyridazinyl)-Benzoic acid methyl ester
- Methyl 3-(pyridazin-4-yl)benzoate
- 579474-85-4
- DB-187863
- 3-pyridazin-4-yl-benzoic acid methyl ester
- SDICQYDWUUZNSN-UHFFFAOYSA-N
- SCHEMBL5563340
-
- Inchi： 1S/C12H10N2O2/c1-16-12(15)10-4-2-3-9(7-10)11-5-6-13-14-8-11/h2-8H,1H3
- InChI Key： SDICQYDWUUZNSN-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC=CC(C2=CN=NC=C2)=C1)=O
Computed Properties
- Exact Mass: 214.074227566g/mol
- Monoisotopic Mass: 214.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 245
- 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: 1.3
- Topological Polar Surface Area: 52.1?2
3-(4-pyridazinyl)-Benzoic acid methyl ester Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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