Cas no 39082-00-3 (4-chloro-3-oxo-n-phenylbutanamide)
39082-00-3 structure
Product Name:4-chloro-3-oxo-n-phenylbutanamide
CAS No:39082-00-3
MF:C10H10ClNO2
MW:211.644901752472
CID:1496055
PubChem ID:38215
Update Time:2025-04-21
4-chloro-3-oxo-n-phenylbutanamide Chemical and Physical Properties
Names and Identifiers
-
- EINECS 254-276-4
- 2-chloroacetoacetanilide
- ACETOACETANILIDE, 4-CHLORO-
- AC1L1ZBN
- chloroacetoacetanilide
- Butanamide, 4-chloro-3-oxo-N-phenyl-
- BRN 2369400
- 4-Chloroacetoacetanilide
- 4-chloro-acetoacetic acid anilide
- CTK3I9152
- 2-chloroacetylacetanilide
- 4-chloro-3-oxo-N-phenylbutanamide
- 3-12-00-00995 (Beilstein Handbook Reference)
- NS00030506
- gamma-Chloroacetoacetanilide
- gamma-Chloroaceto acetic acid anilide
- 39082-00-3
- DTXSID0068155
- SCHEMBL5364516
- 4-chloro-3-oxo-n-phenylbutanamide
-
- Inchi： 1S/C10H10ClNO2/c11-7-9(13)6-10(14)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)
- InChI Key： CJLSDBRIXZFCKV-UHFFFAOYSA-N
- SMILES： ClCC(CC(NC1C=CC=CC=1)=O)=O
Computed Properties
- Exact Mass: 211.0401
- Monoisotopic Mass: 211.0400063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 212
- 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: 2.1
- Topological Polar Surface Area: 46.2?2
Experimental Properties
- PSA: 46.17
4-chloro-3-oxo-n-phenylbutanamide Related Literature
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Szilvia Nagy,János Pipek Phys. Chem. Chem. Phys., 2015,17, 31558-31565
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Yi-Bin Ruan,Alexis Depauw,Isabelle Leray Org. Biomol. Chem., 2014,12, 4335-4341
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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