Cas no 61712-42-3 (Benzoxazole, 2-(3-bromophenyl)-5-methyl-)
61712-42-3 structure
Product Name:Benzoxazole, 2-(3-bromophenyl)-5-methyl-
CAS No:61712-42-3
MF:C14H10BrNO
MW:288.13930273056
CID:468953
PubChem ID:804193
Update Time:2025-04-19
Benzoxazole, 2-(3-bromophenyl)-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoxazole, 2-(3-bromophenyl)-5-methyl-
- 2-(3-bromophenyl)-5-methyl-1,3-benzoxazole
- 2-(3-Bromophenyl)-5-methyl-benzoxazole
- AKOS003284172
- 61712-42-3
- DTXSID50355517
- 2-(3-Bromophenyl)-5-methylbenzo[d]oxazole
- 2-(3-bromophenyl)-5-methylbenzoxazole
- MZFREZYSFXTNDD-UHFFFAOYSA-N
- HMS1585P20
- SCHEMBL3137765
-
- Inchi： 1S/C14H10BrNO/c1-9-5-6-13-12(7-9)16-14(17-13)10-3-2-4-11(15)8-10/h2-8H,1H3
- InChI Key： MZFREZYSFXTNDD-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)C1=NC2C=C(C)C=CC=2O1
Computed Properties
- Exact Mass: 286.9946
- Monoisotopic Mass: 286.99458g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 273
- 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: 4.5
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Benzoxazole, 2-(3-bromophenyl)-5-methyl- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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