Cas no 5468-96-2 (Benzenemethanol,2,4-dichloro-, 1-acetate)
5468-96-2 structure
Product Name:Benzenemethanol,2,4-dichloro-, 1-acetate
CAS No:5468-96-2
MF:C9H8Cl2O2
MW:219.06462097168
CID:382001
PubChem ID:225826
Update Time:2025-04-19
Benzenemethanol,2,4-dichloro-, 1-acetate Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol,2,4-dichloro-, 1-acetate
- (2,4-dichlorophenyl)methyl acetate
- 2,4-dichlorobenzyl acetate
- TXJMBLACZHJNAE-UHFFFAOYSA-N
- NSC-15651
- SCHEMBL11888397
- Acetic acid, (2,4-dichlorophenyl)methyl ester
- NSC15651
- 5468-96-2
- DTXSID00280128
-
- Inchi： 1S/C9H8Cl2O2/c1-6(12)13-5-7-2-3-8(10)4-9(7)11/h2-4H,5H2,1H3
- InChI Key： TXJMBLACZHJNAE-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1COC(C)=O)Cl
Computed Properties
- Exact Mass: 217.99000
- Monoisotopic Mass: 217.9901349g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 185
- 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: 3.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 3.05650
Benzenemethanol,2,4-dichloro-, 1-acetate Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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