Cas no 36776-45-1 (toluene, 3-benzyloxy-2-bromo-5-methoxy-,)
36776-45-1 structure
Product Name:toluene, 3-benzyloxy-2-bromo-5-methoxy-,
CAS No:36776-45-1
MF:C15H15BrO2
MW:307.182403802872
CID:921648
PubChem ID:142105
Update Time:2025-04-19
toluene, 3-benzyloxy-2-bromo-5-methoxy-, Chemical and Physical Properties
Names and Identifiers
-
- toluene, 3-benzyloxy-2-bromo-5-methoxy-,
- 2-bromo-5-methoxy-1-methyl-3-phenylmethoxybenzene
- Toluene, 3-benzyloxy-2-bromo-5-methoxy-
- 36776-45-1
- DTXSID20190235
-
- Inchi: 1S/C15H15BrO2/c1-11-8-13(17-2)9-14(15(11)16)18-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
- InChI Key: OJXQPHYANJEHNS-UHFFFAOYSA-N
- SMILES: BrC1=C(C)C=C(C=C1OCC1C=CC=CC=1)OC
Computed Properties
- Exact Mass: 306.02555
- Monoisotopic Mass: 306.02554g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 241
- 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: 4.4
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
toluene, 3-benzyloxy-2-bromo-5-methoxy-, Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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