Cas no 1185306-53-9 (4-Bromo-1-(methyl-d3)-pyridin-2-one)
1185306-53-9 structure
Product Name:4-Bromo-1-(methyl-d3)-pyridin-2-one
CAS No:1185306-53-9
MF:C6H6BrNO
MW:191.040425777435
CID:6810677
PubChem ID:45788765
Update Time:2025-03-28
4-Bromo-1-(methyl-d3)-pyridin-2-one Chemical and Physical Properties
Names and Identifiers
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- AT21028
- CS-18903
- 1185306-53-9
- 4-BROMO-1-(METHYL-D3)PYRIDIN-2(1H)-ONE
- 4-Bromo-1-(methyl-d3)-pyridin-2-one
- AKOS015943471
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- Inchi: 1S/C6H6BrNO/c1-8-3-2-5(7)4-6(8)9/h2-4H,1H3/i1D3
- InChI Key: YFOQSLIPUHGGQE-FIBGUPNXSA-N
- SMILES: BrC1C=CN(C([2H])([2H])[2H])C(C=1)=O
Computed Properties
- Exact Mass: 189.98211Da
- Monoisotopic Mass: 189.98211Da
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 195
- 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: 0.8
- Topological Polar Surface Area: 20.3?2
4-Bromo-1-(methyl-d3)-pyridin-2-one Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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