Cas no 107872-93-5 (7-Bromo-2-oxoheptanoic acid)
7-Bromo-2-oxoheptanoic acid structure
Product Name:7-Bromo-2-oxoheptanoic acid
CAS No:107872-93-5
MF:C7H11BrO3
MW:223.064441919327
CID:2870780
PubChem ID:26967738
Update Time:2025-04-21
7-Bromo-2-oxoheptanoic acid Chemical and Physical Properties
Names and Identifiers
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- 7-Bromo-2-oxoheptanoic acid
- 107872-93-5
- DB-207930
-
- Inchi： 1S/C7H11BrO3/c8-5-3-1-2-4-6(9)7(10)11/h1-5H2,(H,10,11)
- InChI Key： WTQLOILEMWBNTR-UHFFFAOYSA-N
- SMILES： BrCCCCCC(C(=O)O)=O
Computed Properties
- Exact Mass: 221.98916Da
- Monoisotopic Mass: 221.98916Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 145
- 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: 1.4
- Topological Polar Surface Area: 54.4?2
7-Bromo-2-oxoheptanoic acid Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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