Cas no 498579-54-7 (1,1'-Biphenyl, 4-bromo-4'-(1,1-dimethylethoxy)-)
498579-54-7 structure
Product Name:1,1'-Biphenyl, 4-bromo-4'-(1,1-dimethylethoxy)-
CAS No:498579-54-7
MF:C16H17BrO
MW:305.209583997726
CID:1537346
PubChem ID:9836103
Update Time:2025-04-21
1,1'-Biphenyl, 4-bromo-4'-(1,1-dimethylethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 4-bromo-4'-(1,1-dimethylethoxy)-
- 1-bromo-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzene
- 498579-54-7
- DTXSID30431525
-
- Inchi： 1S/C16H17BrO/c1-16(2,3)18-15-10-6-13(7-11-15)12-4-8-14(17)9-5-12/h4-11H,1-3H3
- InChI Key： DNBJASKEWWYZCO-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C1C=CC(=CC=1)OC(C)(C)C
Computed Properties
- Exact Mass: 304.04631
- Monoisotopic Mass: 304.04628g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 242
- 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: 6
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
1,1'-Biphenyl, 4-bromo-4'-(1,1-dimethylethoxy)- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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