Cas no 70120-18-2 (Phenol, 4-bromo-3-(phenylmethoxy)-)
70120-18-2 structure
Product Name:Phenol, 4-bromo-3-(phenylmethoxy)-
CAS No:70120-18-2
MF:C13H11BrO2
MW:279.129243135452
CID:547681
PubChem ID:15670654
Update Time:2025-04-19
Phenol, 4-bromo-3-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-bromo-3-(phenylmethoxy)-
- 4-bromo-3-phenylmethoxyphenol
- SCHEMBL5951406
- DTXSID20576651
- 3-(benzyloxy)-4-bromophenol
- AKOS037652073
- 3-benzyloxy-4-bromophenol
- DNSGVSFZTCXNCE-UHFFFAOYSA-N
- 70120-18-2
-
- Inchi： 1S/C13H11BrO2/c14-12-7-6-11(15)8-13(12)16-9-10-4-2-1-3-5-10/h1-8,15H,9H2
- InChI Key： DNSGVSFZTCXNCE-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C=C1OCC1C=CC=CC=1)O
Computed Properties
- Exact Mass: 277.99423
- Monoisotopic Mass: 277.99424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 204
- 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: 3.7
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
Phenol, 4-bromo-3-(phenylmethoxy)- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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