Cas no 91423-84-6 (Hexanoic acid, 2-bromo-, (2S)-)
91423-84-6 structure
Product Name:Hexanoic acid, 2-bromo-, (2S)-
CAS No:91423-84-6
MF:C6H11BrO2
MW:195.054341554642
CID:787705
PubChem ID:6994463
Update Time:2025-04-19
Hexanoic acid, 2-bromo-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 2-bromo-, (2S)-
- (S)-2-Bromohexanoic acid
- 91423-84-6
- UNII-QZ8V98WONG
- 2-Bromohexanoic acid, (S)-
- HZTPKMIMXLTOSK-YFKPBYRVSA-N
- (2S)-2-bromohexanoic acid
- 2-Bromocapronic acid, (-)-
- SCHEMBL1732697
- QZ8V98WONG
- DTXSID80238561
- Q27287574
-
- Inchi： 1S/C6H11BrO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
- InChI Key： HZTPKMIMXLTOSK-YFKPBYRVSA-N
- SMILES： Br[C@H](C(=O)O)CCCC
Computed Properties
- Exact Mass: 193.99424g/mol
- Monoisotopic Mass: 193.99424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 93.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 37.3?2
Hexanoic acid, 2-bromo-, (2S)- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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