Cas no 67532-38-1 (Benzene, 1-bromo-3-(3-methylphenoxy)-)
67532-38-1 structure
Product Name:Benzene, 1-bromo-3-(3-methylphenoxy)-
CAS No:67532-38-1
MF:C13H11BrO
MW:263.129842996597
CID:2797762
PubChem ID:10611548
Update Time:2025-04-21
Benzene, 1-bromo-3-(3-methylphenoxy)- Chemical and Physical Properties
Names and Identifiers
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- DTXSID10442518
- Benzene, 1-bromo-3-(3-methylphenoxy)-
- 67532-38-1
-
- Inchi： 1S/C13H11BrO/c1-10-4-2-6-12(8-10)15-13-7-3-5-11(14)9-13/h2-9H,1H3
- InChI Key： TZTCPBMQYZOXGG-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)OC1=CC=CC(C)=C1
Computed Properties
- Exact Mass: 261.99933Da
- Monoisotopic Mass: 261.99933Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 195
- 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: 9.2?2
Benzene, 1-bromo-3-(3-methylphenoxy)- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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