Cas no 81911-36-6 (Benzeneacetic acid,4-(chlorocarbonyl)-)
81911-36-6 structure
Product Name:Benzeneacetic acid,4-(chlorocarbonyl)-
CAS No:81911-36-6
MF:C9H7ClO3
MW:198.603081941605
CID:708217
PubChem ID:20464134
Update Time:2025-04-19
Benzeneacetic acid,4-(chlorocarbonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,4-(chlorocarbonyl)-
- 2-(4-carbonochloridoylphenyl)acetic acid
- Benzeneacetic acid, 4-(chlorocarbonyl)- (9CI)
- DTXSID40607512
- Benzeneacetic acid,4-(chlorocarbonyl)-(9ci)
- 4-caboxymethylbenzoyl chloride
- SCHEMBL3182472
- 81911-36-6
- JGVPWKIYGAVSEA-UHFFFAOYSA-N
- [4-(Chlorocarbonyl)phenyl]acetic acid
-
- Inchi： 1S/C9H7ClO3/c10-9(13)7-3-1-6(2-4-7)5-8(11)12/h1-4H,5H2,(H,11,12)
- InChI Key： JGVPWKIYGAVSEA-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(=CC=1)CC(=O)O)=O
Computed Properties
- Exact Mass: 198.0083718g/mol
- Monoisotopic Mass: 198.0083718g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 207
- 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: 2.1
- Topological Polar Surface Area: 54.4?2
Benzeneacetic acid,4-(chlorocarbonyl)- Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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