Cas no 31009-93-5 (Butanamide, 2-chloro-N-(2-chlorophenyl)-3-oxo-)
31009-93-5 structure
Product Name:Butanamide, 2-chloro-N-(2-chlorophenyl)-3-oxo-
CAS No:31009-93-5
MF:C10H9Cl2NO2
MW:246.089960813522
CID:1445087
PubChem ID:13264877
Update Time:2025-04-20
Butanamide, 2-chloro-N-(2-chlorophenyl)-3-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Butanamide, 2-chloro-N-(2-chlorophenyl)-3-oxo-
- 2-chloro-N-(2-chlorophenyl)-3-oxobutanamide
- 31009-93-5
- DTXSID80533043
-
- Inchi: 1S/C10H9Cl2NO2/c1-6(14)9(12)10(15)13-8-5-3-2-4-7(8)11/h2-5,9H,1H3,(H,13,15)
- InChI Key: BSPPBARSWXBCAO-UHFFFAOYSA-N
- SMILES: ClC(C(C)=O)C(NC1C=CC=CC=1Cl)=O
Computed Properties
- Exact Mass: 245.00117
- Monoisotopic Mass: 245.0010339g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 258
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 46.2?2
Experimental Properties
- PSA: 46.17
Butanamide, 2-chloro-N-(2-chlorophenyl)-3-oxo- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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