Cas no 651728-44-8 (Acetyl chloride, [3-(1-methylethyl)phenoxy]-)
![Acetyl chloride, [3-(1-methylethyl)phenoxy]- structure](https://ossimg.kuujia.com/scimg/652000/651728-44-8x500.png)
651728-44-8 structure
Product Name:Acetyl chloride, [3-(1-methylethyl)phenoxy]-
CAS No:651728-44-8
MF:C11H13ClO2
MW:212.672722578049
CID:404055
PubChem ID:20786371
Update Time:2025-04-19
Acetyl chloride, [3-(1-methylethyl)phenoxy]- Chemical and Physical Properties
Names and Identifiers
-
- 2-(3-propan-2-ylphenoxy)acetyl chloride
- Acetyl chloride, [3-(1-methylethyl)phenoxy]-
- DTXSID30609803
- 3-isopropylphenoxyacetic acid chloride
- 651728-44-8
- XYICRZCOGRZXCE-UHFFFAOYSA-N
- SCHEMBL5763328
- [3-(Propan-2-yl)phenoxy]acetyl chloride
-
- Inchi： 1S/C11H13ClO2/c1-8(2)9-4-3-5-10(6-9)14-7-11(12)13/h3-6,8H,7H2,1-2H3
- InChI Key： XYICRZCOGRZXCE-UHFFFAOYSA-N
- SMILES： ClC(COC1=CC=CC(=C1)C(C)C)=O
Computed Properties
- Exact Mass: 212.06049
- Monoisotopic Mass: 212.0604073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 192
- 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: 3.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Acetyl chloride, [3-(1-methylethyl)phenoxy]- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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