Cas no 96597-85-2 (Benzene, 1-bromo-2-[(3-methyl-2-butenyl)oxy]-)
![Benzene, 1-bromo-2-[(3-methyl-2-butenyl)oxy]- structure](https://ossimg.kuujia.com/scimg/97000/96597-85-2x500.png)
96597-85-2 structure
Product Name:Benzene, 1-bromo-2-[(3-methyl-2-butenyl)oxy]-
CAS No:96597-85-2
MF:C11H13BrO
MW:241.124322652817
CID:751372
PubChem ID:11470509
Update Time:2025-04-19
Benzene, 1-bromo-2-[(3-methyl-2-butenyl)oxy]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-bromo-2-[(3-methyl-2-butenyl)oxy]-
- 1-bromo-2-(3-methylbut-2-enoxy)benzene
- 96597-85-2
- DTXSID20466942
- AKOS000202980
-
- Inchi： 1S/C11H13BrO/c1-9(2)7-8-13-11-6-4-3-5-10(11)12/h3-7H,8H2,1-2H3
- InChI Key： ISHABPIIYWSXNN-UHFFFAOYSA-N
- SMILES： BrC1C=CC=CC=1OC/C=C(\C)/C
Computed Properties
- Exact Mass: 240.01498g/mol
- Monoisotopic Mass: 240.01498g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 173
- 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: 3.9
- Topological Polar Surface Area: 9.2?2
Benzene, 1-bromo-2-[(3-methyl-2-butenyl)oxy]- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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