Cas no 449727-85-9 (4-ACETOXY-3-BROMOANISOLE)
4-ACETOXY-3-BROMOANISOLE structure
Product Name:4-ACETOXY-3-BROMOANISOLE
CAS No:449727-85-9
MF:C9H9BrO3
MW:245.069962263107
CID:929754
PubChem ID:11288033
Update Time:2025-04-19
4-ACETOXY-3-BROMOANISOLE Chemical and Physical Properties
Names and Identifiers
-
- 4-ACETOXY-3-BROMOANISOLE
- (2-bromo-4-methoxyphenyl) acetate
- SCHEMBL9280624
- 449727-85-9
- DB-070606
- DTXSID90461308
- Phenol, 2-bromo-4-methoxy-, 1-acetate
-
- Inchi： 1S/C9H9BrO3/c1-6(11)13-9-4-3-7(12-2)5-8(9)10/h3-5H,1-2H3
- InChI Key： IHRXZSJJLBIBOY-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=CC=1OC(C)=O)OC
Computed Properties
- Exact Mass: 243.97351g/mol
- Monoisotopic Mass: 243.97351g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 184
- 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: 2.3
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 1.465±0.06 g/cm3(Predicted)
- Boiling Point: 295.9±30.0 °C(Predicted)
4-ACETOXY-3-BROMOANISOLE Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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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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