Cas no 154016-51-0 (Isoxazole, 3-(bromomethyl)-5-(1-methylethyl)-)
154016-51-0 structure
Product Name:Isoxazole, 3-(bromomethyl)-5-(1-methylethyl)-
CAS No:154016-51-0
MF:C7H10BrNO
MW:204.06440114975
CID:2122664
Update Time:2023-08-04
Isoxazole, 3-(bromomethyl)-5-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- 3-(bromomethyl)-5-isopropylisoxazole
- Isoxazole, 3-(bromomethyl)-5-(1-methylethyl)-
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- Inchi： 1S/C7H10BrNO/c1-5(2)7-3-6(4-8)9-10-7/h3,5H,4H2,1-2H3
- InChI Key： UTZOUOHNKMIFAD-UHFFFAOYSA-N
- SMILES： BrCC1C=C(C(C)C)ON=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 108
- Topological Polar Surface Area: 26
Isoxazole, 3-(bromomethyl)-5-(1-methylethyl)- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Jason Wan Lab Chip, 2020,20, 4528-4538
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