Cas no 579475-60-8 (3-(3-pyridazinyl)-Benzoic acid methyl ester)
579475-60-8 structure
Product Name:3-(3-pyridazinyl)-Benzoic acid methyl ester
CAS No:579475-60-8
MF:C12H10N2O2
MW:214.220002651215
CID:1114374
PubChem ID:69489687
Update Time:2025-04-20
3-(3-pyridazinyl)-Benzoic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-(3-pyridazinyl)-Benzoic acid methyl ester
- 3-pyridazin-3-yl-benzoic acid methyl ester
- Methyl 3-(pyridazin-3-yl)benzoate
- DB-187862
- SCHEMBL5563553
- DGMXBVBBCRYAMC-UHFFFAOYSA-N
- 579475-60-8
-
- Inchi： 1S/C12H10N2O2/c1-16-12(15)10-5-2-4-9(8-10)11-6-3-7-13-14-11/h2-8H,1H3
- InChI Key： DGMXBVBBCRYAMC-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC=CC(C2=CC=CN=N2)=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: 1.4
- Topological Polar Surface Area: 52.1?2
3-(3-pyridazinyl)-Benzoic acid methyl ester Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
579475-60-8 (3-(3-pyridazinyl)-Benzoic acid methyl ester) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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