Cas no 58010-69-8 (Benzamide, N-benzoyl-4-chloro-)
58010-69-8 structure
Product Name:Benzamide, N-benzoyl-4-chloro-
CAS No:58010-69-8
MF:C14H10ClNO2
MW:259.687702655792
CID:1607829
PubChem ID:12618132
Update Time:2025-04-21
Benzamide, N-benzoyl-4-chloro- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, N-benzoyl-4-chloro-
- N-benzoyl-4-chlorobenzamide
- 58010-69-8
- DTXSID60504534
-
- Inchi： 1S/C14H10ClNO2/c15-12-8-6-11(7-9-12)14(18)16-13(17)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
- InChI Key： VYWBDMPBBNBVNW-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C(NC(C1C=CC=CC=1)=O)=O
Computed Properties
- Exact Mass: 259.0401
- Monoisotopic Mass: 259.0400063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 305
- 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: 3.3
- Topological Polar Surface Area: 46.2?2
Experimental Properties
- PSA: 46.17
Benzamide, N-benzoyl-4-chloro- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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