Cas no 62874-82-2 (2-Propanone, 1-bromo-1,3,3-trichloro-)
62874-82-2 structure
Product Name:2-Propanone, 1-bromo-1,3,3-trichloro-
CAS No:62874-82-2
MF:C3H2BrCl3O
MW:240.310377597809
CID:429358
PubChem ID:23426731
Update Time:2025-04-19
2-Propanone, 1-bromo-1,3,3-trichloro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone, 1-bromo-1,3,3-trichloro-
- 1-bromo-1,3,3-trichloropropan-2-one
- DTXSID70633985
- 1-bromo-1 ,3,3-trichloroacetone
- 1-Bromo-1,3,3-trichloropropanone
- 62874-82-2
-
- Inchi： 1S/C3H2BrCl3O/c4-2(5)1(8)3(6)7/h2-3H
- InChI Key： IJVAPODNWOMMSL-UHFFFAOYSA-N
- SMILES： BrC(C(C(Cl)Cl)=O)Cl
Computed Properties
- Exact Mass: 237.83556
- Monoisotopic Mass: 237.83546g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 94.5
- 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: 2.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Propanone, 1-bromo-1,3,3-trichloro- Related Literature
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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