Cas no 291753-67-8 (Benzene, 4-bromo-1,2-bis(octyloxy)-)
291753-67-8 structure
Product Name:Benzene, 4-bromo-1,2-bis(octyloxy)-
CAS No:291753-67-8
MF:C22H37BrO2
MW:413.431986570358
CID:1438424
PubChem ID:10873359
Update Time:2025-04-20
Benzene, 4-bromo-1,2-bis(octyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 4-bromo-1,2-bis(octyloxy)-
- 4-bromo-1,2-bis(n-octyloxy)benzene
- SCHEMBL5441890
- 291753-67-8
- HS-3344
- 4-Bromo-1,2-bis(octyloxy)benzene
-
- Inchi： 1S/C22H37BrO2/c1-3-5-7-9-11-13-17-24-21-16-15-20(23)19-22(21)25-18-14-12-10-8-6-4-2/h15-16,19H,3-14,17-18H2,1-2H3
- InChI Key： NCPOKNBUYXLCFU-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C(C=1)OCCCCCCCC)OCCCCCCCC
Computed Properties
- Exact Mass: 412.19781
- Monoisotopic Mass: 412.19769g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 16
- Complexity: 285
- 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: 9.4
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
Benzene, 4-bromo-1,2-bis(octyloxy)- Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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