Cas no 111555-12-5 (Hexane, 1-bromo-2-methyl-, (S)-)
111555-12-5 structure
Product Name:Hexane, 1-bromo-2-methyl-, (S)-
CAS No:111555-12-5
MF:C7H15Br
MW:179.098001718521
CID:1198302
PubChem ID:10899252
Update Time:2025-04-20
Hexane, 1-bromo-2-methyl-, (S)- Chemical and Physical Properties
Names and Identifiers
-
- Hexane, 1-bromo-2-methyl-, (S)-
- (2s)-1-bromo-2-methylhexane
- (S)-1-Bromo-2-methylhexane
- G83311
- 111555-12-5
-
- Inchi： 1S/C7H15Br/c1-3-4-5-7(2)6-8/h7H,3-6H2,1-2H3/t7-/m0/s1
- InChI Key： CKHQKWRHPZIGTM-ZETCQYMHSA-N
- SMILES： BrC[C@@H](C)CCCC
Computed Properties
- Exact Mass: 178.03571g/mol
- Monoisotopic Mass: 178.03571g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 43.7
- 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: 3.8
- Topological Polar Surface Area: 0?2
Hexane, 1-bromo-2-methyl-, (S)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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