Cas no 23723-28-6 (3-Pyridinecarboxylicacid, (5-chloro-3-pyridinyl)methyl ester)
23723-28-6 structure
Product Name:3-Pyridinecarboxylicacid, (5-chloro-3-pyridinyl)methyl ester
CAS No:23723-28-6
MF:C12H9ClN2O2
MW:248.665061712265
CID:275841
PubChem ID:211895
Update Time:2025-04-19
3-Pyridinecarboxylicacid, (5-chloro-3-pyridinyl)methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylicacid, (5-chloro-3-pyridinyl)methyl ester
- (5-chloropyridin-3-yl)methyl pyridine-3-carboxylate
- 3-Pyridinecarboxylic acid, (5-chloro-3-pyridinyl)methyl ester
- (5-chloropyridin-3-yl)methyl nicotinate
- (5-Chloro-3-pyridinyl)methyl nicotinate
- DTXSID60178390
- 23723-28-6
- BRN 0480377
-
- Inchi： 1S/C12H9ClN2O2/c13-11-4-9(5-15-7-11)8-17-12(16)10-2-1-3-14-6-10/h1-7H,8H2
- InChI Key： VMCZLYZERNEZNY-UHFFFAOYSA-N
- SMILES： ClC1=CN=CC(=C1)COC(C1C=NC=CC=1)=O
Computed Properties
- Exact Mass: 248.03537
- Monoisotopic Mass: 248.035255
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 263
- 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: 2
- Topological Polar Surface Area: 52.1
Experimental Properties
- Density: 1.333
- Boiling Point: 380.1°Cat760mmHg
- Flash Point: 183.7°C
- Refractive Index: 1.597
- PSA: 52.08
3-Pyridinecarboxylicacid, (5-chloro-3-pyridinyl)methyl ester Related Literature
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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