Cas no 54095-15-7 (Propanedioyl dichloride, ethylphenyl-)
54095-15-7 structure
Product Name:Propanedioyl dichloride, ethylphenyl-
CAS No:54095-15-7
MF:C11H10Cl2O2
MW:245.101901531219
CID:355545
PubChem ID:12256795
Update Time:2025-04-19
Propanedioyl dichloride, ethylphenyl- Chemical and Physical Properties
Names and Identifiers
-
- Propanedioyl dichloride, ethylphenyl-
- 2-ethyl-2-phenylpropanedioyl dichloride
- 54095-15-7
- DTXSID70482713
- SCHEMBL8860164
-
- Inchi： 1S/C11H10Cl2O2/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8/h3-7H,2H2,1H3
- InChI Key： NXROHJABHCSTOK-UHFFFAOYSA-N
- SMILES： ClC(C(C(=O)Cl)(C1C=CC=CC=1)CC)=O
Computed Properties
- Exact Mass: 244.0059
- Monoisotopic Mass: 244.0057849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 243
- 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: 3.4
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
Propanedioyl dichloride, ethylphenyl- Related Literature
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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