Cas no 7579-40-0 (2-Chlorobenzoic acid, benzyl ester)
7579-40-0 structure
Product Name:2-Chlorobenzoic acid, benzyl ester
CAS No:7579-40-0
MF:C14H11ClO2
MW:246.688943147659
CID:982049
PubChem ID:222393
Update Time:2025-04-19
2-Chlorobenzoic acid, benzyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Chlorobenzoic acid, benzyl ester
- benzyl 2-chlorobenzoate
- 7579-40-0
- Benzyl 2-chlorobenzoate #
- SCHEMBL6057150
- DTXSID80278588
- IJIVXOPMPSQRSF-UHFFFAOYSA-N
- NSC8310
- NSC-8310
- AN-652/41399020
- DS-007238
-
- Inchi： 1S/C14H11ClO2/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9H,10H2
- InChI Key： IJIVXOPMPSQRSF-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1C(=O)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 246.04483
- Monoisotopic Mass: 246.0447573g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 249
- 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: 3.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
- LogP: 3.69700
2-Chlorobenzoic acid, benzyl ester Related Literature
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Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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Danlei Xiang Nanoscale, 2021,13, 5497-5506
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