Cas no 852180-04-2 (2-Bromo-1-(pyrimidin-5-yl)propan-1-one)
852180-04-2 structure
Product Name:2-Bromo-1-(pyrimidin-5-yl)propan-1-one
CAS No:852180-04-2
MF:C7H7BrN2O
MW:215.047280550003
CID:1082896
PubChem ID:72942420
Update Time:2025-04-20
2-Bromo-1-(pyrimidin-5-yl)propan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 2-Bromo-1-(pyrimidin-5-yl)propan-1-one
- 2-bromo-1-pyrimidin-5-ylpropan-1-one
- 852180-04-2
- SCHEMBL6251854
- DB-364681
-
- Inchi： 1S/C7H7BrN2O/c1-5(8)7(11)6-2-9-4-10-3-6/h2-5H,1H3
- InChI Key： WPJHKBGHURKLJH-UHFFFAOYSA-N
- SMILES： BrC(C)C(C1=CN=CN=C1)=O
Computed Properties
- Exact Mass: 213.97418g/mol
- Monoisotopic Mass: 213.97418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 145
- 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: 1.1
- Topological Polar Surface Area: 42.8?2
2-Bromo-1-(pyrimidin-5-yl)propan-1-one Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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