Cas no 847729-56-0 (BENZOIC ACID, 5-CHLORO-2-(3-FLUOROPHENOXY)-, METHYL ESTER)
847729-56-0 structure
Product Name:BENZOIC ACID, 5-CHLORO-2-(3-FLUOROPHENOXY)-, METHYL ESTER
CAS No:847729-56-0
MF:C14H10ClFO3
MW:280.678806781769
CID:3389756
PubChem ID:57572274
Update Time:2025-04-21
BENZOIC ACID, 5-CHLORO-2-(3-FLUOROPHENOXY)-, METHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- BENZOIC ACID, 5-CHLORO-2-(3-FLUOROPHENOXY)-, METHYL ESTER
- DTXSID201198731
- 847729-56-0
- SCHEMBL4446808
- LNFHPGVBPMYQBP-UHFFFAOYSA-N
- Methyl 5-chloro-2-(3-fluorophenoxy)benzoate
-
- Inchi: 1S/C14H10ClFO3/c1-18-14(17)12-7-9(15)5-6-13(12)19-11-4-2-3-10(16)8-11/h2-8H,1H3
- InChI Key: LNFHPGVBPMYQBP-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=C(C(=O)OC)C=1)OC1C=CC=C(C=1)F
Computed Properties
- Exact Mass: 280.0302500Da
- Monoisotopic Mass: 280.0302500Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 313
- 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: 4.1
- Topological Polar Surface Area: 35.5?2
BENZOIC ACID, 5-CHLORO-2-(3-FLUOROPHENOXY)-, METHYL ESTER Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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