Cas no 102121-58-4 (Benzoyl chloride,3,4-diethyl-)
Benzoyl chloride,3,4-diethyl- structure
Product Name:Benzoyl chloride,3,4-diethyl-
CAS No:102121-58-4
MF:C11H13ClO
MW:196.673322439194
CID:124919
PubChem ID:45081743
Update Time:2025-04-18
Benzoyl chloride,3,4-diethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride,3,4-diethyl-
- 3,4-diethylbenzoyl chloride
- Benzoyl chloride, 3,4-diethyl- (9CI)
- 3,4-DIETHYL-BENZOYL CHLORIDE
- SCHEMBL10354231
- DTXSID40664822
- Benzoyl chloride,3,4-diethyl-(9ci)
- 102121-58-4
-
- Inchi： 1S/C11H13ClO/c1-3-8-5-6-10(11(12)13)7-9(8)4-2/h5-7H,3-4H2,1-2H3
- InChI Key： SNBCETWLOKEFMT-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(CC)=C(C=1)CC)=O
Computed Properties
- Exact Mass: 196.06500
- Monoisotopic Mass: 196.065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 179
- 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
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 4
Experimental Properties
- PSA: 17.07000
- LogP: 3.19040
Benzoyl chloride,3,4-diethyl- Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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