Cas no 70672-81-0 (3(2H)-Benzoxazolecarboxylicacid, 5-bromo-2-oxo-, methyl ester)
70672-81-0 structure
Product Name:3(2H)-Benzoxazolecarboxylicacid, 5-bromo-2-oxo-, methyl ester
CAS No:70672-81-0
MF:C9H6BrNO4
MW:272.052241802216
CID:574368
PubChem ID:337436
Update Time:2025-04-19
3(2H)-Benzoxazolecarboxylicacid, 5-bromo-2-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3(2H)-Benzoxazolecarboxylicacid, 5-bromo-2-oxo-, methyl ester
- methyl 5-bromo-2-oxo-1,3-benzoxazole-3-carboxylate
- 70672-81-0
- NSC-355370
- DTXSID20320136
- NSC355370
-
- Inchi： 1S/C9H6BrNO4/c1-14-8(12)11-6-4-5(10)2-3-7(6)15-9(11)13/h2-4H,1H3
- InChI Key： IJRWWGUYWBWBLP-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1)N(C(=O)OC)C(=O)O2
Computed Properties
- Exact Mass: 270.94798
- Monoisotopic Mass: 270.948
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 296
- 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: 2.2
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- Density: 1.802
- Boiling Point: 359.7°C at 760 mmHg
- Flash Point: 171.3°C
- Refractive Index: 1.621
- PSA: 55.84
3(2H)-Benzoxazolecarboxylicacid, 5-bromo-2-oxo-, methyl ester Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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