Cas no 1553621-71-8 (2-Bromo-3-fluoroisonicotinaldehyde hydrate)
1553621-71-8 structure
Product Name:2-Bromo-3-fluoroisonicotinaldehyde hydrate
CAS No:1553621-71-8
MF:C6H5BrFNO2
MW:222.01180434227
CID:5712404
PubChem ID:54759107
Update Time:2023-10-31
2-Bromo-3-fluoroisonicotinaldehyde hydrate Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL17748269
- AS-54448
- 2-Bromo-3-fluoro-4-formylpyridine
- DTXSID90716709
- s10137
- 2-Bromo-3-fluoroisonicotinaldehyde hydrate
- 2-Bromo-3-fluoroisonicotinaldehydehydrate
- A857574
- 2-bromo-3-fluoropyridine-4-carbaldehyde;hydrate
- AKOS015907860
- SB55281
- 1553621-71-8
- 2-Bromo-3-fluoropyridine-4-carbaldehyde--water (1/1)
-
- MDL： MFCD22123690
- Inchi： 1S/C6H3BrFNO.H2O/c7-6-5(8)4(3-10)1-2-9-6;/h1-3H;1H2
- InChI Key： FYISHJPSPNVIGM-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C=O)C=CN=1)F.O
Computed Properties
- Exact Mass: 220.94877g/mol
- Monoisotopic Mass: 220.94877g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 133
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 31?2
2-Bromo-3-fluoroisonicotinaldehyde hydrate Related Literature
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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
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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