Cas no 53578-00-0 (Benzene, 1-bromo-4-(1,1-dimethoxyethyl)-)
53578-00-0 structure
Product Name:Benzene, 1-bromo-4-(1,1-dimethoxyethyl)-
CAS No:53578-00-0
MF:C10H13BrO2
MW:245.113022565842
CID:1583382
PubChem ID:10911782
Update Time:2025-04-21
Benzene, 1-bromo-4-(1,1-dimethoxyethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-bromo-4-(1,1-dimethoxyethyl)-
- 1-bromo-4-(1,1-dimethoxyethyl)benzene
- OFMVBOQHPIGOIN-UHFFFAOYSA-N
- 53578-00-0
- SCHEMBL3581195
- DA-29651
- 2-(4-bromophenyl)-2,2-dimethoxyethane
-
- Inchi： 1S/C10H13BrO2/c1-10(12-2,13-3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
- InChI Key： OFMVBOQHPIGOIN-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C(C)(OC)OC
Computed Properties
- Exact Mass: 244.00989
- Monoisotopic Mass: 244.00989g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 149
- 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: 2.4
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
Benzene, 1-bromo-4-(1,1-dimethoxyethyl)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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