Cas no 114467-76-4 (Benzene, 1-(bromodifluoromethyl)-4-(1,1-dimethylethyl)-)
114467-76-4 structure
Product Name:Benzene, 1-(bromodifluoromethyl)-4-(1,1-dimethylethyl)-
CAS No:114467-76-4
MF:C11H13BrF2
MW:263.12172961235
CID:3633959
PubChem ID:640460
Update Time:2025-04-22
Benzene, 1-(bromodifluoromethyl)-4-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 1-(bromodifluoromethyl)-4-(1,1-dimethylethyl)-
- 114467-76-4
- InChI=1/C11H13BrF2/c1-10(2,3)8-4-6-9(7-5-8)11(12,13)14/h4-7H,1-3H
- DTXSID401220980
- 1-(Bromodifluoromethyl)-4-(1,1-dimethylethyl)benzene
- 1-(Bromodifluoromethyl)-4-(1,1-dimethylethyl)-benzene
- 1-[bromo(difluoro)methyl]-4-tert-butylbenzene
-
- Inchi： 1S/C11H13BrF2/c1-10(2,3)8-4-6-9(7-5-8)11(12,13)14/h4-7H,1-3H3
- InChI Key： YWCLHRSEKXJCHA-UHFFFAOYSA-N
- SMILES： C1(C(Br)(F)F)=CC=C(C(C)(C)C)C=C1
Computed Properties
- Exact Mass: 262.01687Da
- Monoisotopic Mass: 262.01687Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 188
- 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: 4.9
- Topological Polar Surface Area: 0?2
Benzene, 1-(bromodifluoromethyl)-4-(1,1-dimethylethyl)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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