Cas no 365427-91-4 (Benzoyl chloride,3-propyl-)
Benzoyl chloride,3-propyl- structure
Product Name:Benzoyl chloride,3-propyl-
CAS No:365427-91-4
MF:C10H11ClO
MW:182.646742105484
CID:297343
PubChem ID:14918907
Update Time:2025-04-19
Benzoyl chloride,3-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride,3-propyl-
- 3-Propylbenzoylchloride
- SCHEMBL3892580
- 365427-91-4
- DTXSID50565391
- 3-PROPYLBENZOYL CHLORIDE
- Benzoyl chloride,3-propyl-(9ci)
-
- Inchi： 1S/C10H11ClO/c1-2-4-8-5-3-6-9(7-8)10(11)12/h3,5-7H,2,4H2,1H3
- InChI Key： LPAGINTVAKHGHU-UHFFFAOYSA-N
- SMILES： ClC(C1=CC=CC(=C1)CCC)=O
Computed Properties
- Exact Mass: 182.04993
- Monoisotopic Mass: 182.0498427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 156
- 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: 4.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Benzoyl chloride,3-propyl- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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