Cas no 70416-40-9 (Ethyl 2-bromo-5-formylnicotinate)
70416-40-9 structure
Product Name:Ethyl 2-bromo-5-formylnicotinate
CAS No:70416-40-9
MF:C9H8BrNO3
MW:258.06872177124
CID:2108789
Update Time:2023-08-03
Ethyl 2-bromo-5-formylnicotinate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-bromo-5-formylnicotinate
- SELURJXPHGVLMI-UHFFFAOYSA-N
- 2-Bromo-5-formyl-nicotinic acid ethyl ester
- Ethyl 2-bromo-5-formylnicotinate
-
- Inchi： 1S/C9H8BrNO3/c1-2-14-9(13)7-3-6(5-12)4-11-8(7)10/h3-5H,2H2,1H3
- InChI Key： SELURJXPHGVLMI-UHFFFAOYSA-N
- SMILES： BrC1C(C(=O)OCC)=CC(C=O)=CN=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 222
- Topological Polar Surface Area: 56.3
Ethyl 2-bromo-5-formylnicotinate Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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