Cas no 344240-71-7 (2,3-Pentanedione, 1-bromo-)
2,3-Pentanedione, 1-bromo- structure
Product Name:2,3-Pentanedione, 1-bromo-
CAS No:344240-71-7
MF:C5H7BrO2
MW:179.011881113052
CID:919119
PubChem ID:13034209
Update Time:2025-04-19
2,3-Pentanedione, 1-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Pentanedione, 1-bromo-
- DB-280751
- 344240-71-7
- 2,3-Pentanedione,1-bromo-
- SCHEMBL11840893
- 2,3-Pentanedione, 1-bromo-
-
- Inchi： 1S/C5H7BrO2/c1-2-4(7)5(8)3-6/h2-3H2,1H3
- InChI Key： KCPZXQJOPZIONM-UHFFFAOYSA-N
- SMILES： BrCC(C(CC)=O)=O
Computed Properties
- Exact Mass: 177.96294g/mol
- Monoisotopic Mass: 177.96294g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 109
- 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: 0.9
- Topological Polar Surface Area: 34.1?2
2,3-Pentanedione, 1-bromo- Related Literature
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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