Cas no 5423-21-2 (Methanone,bis(3-bromo-4-hydroxyphenyl)-)
5423-21-2 structure
Product Name:Methanone,bis(3-bromo-4-hydroxyphenyl)-
CAS No:5423-21-2
MF:C13H8Br2O3
MW:372.008822441101
CID:376090
PubChem ID:220950
Update Time:2025-04-19
Methanone,bis(3-bromo-4-hydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone,bis(3-bromo-4-hydroxyphenyl)-
- bis(3-bromo-4-hydroxyphenyl)methanone
- bis(3-bromo-4-hydroxy-phenyl)methanone
- AC1Q26OG
- AG-J-45465
- AR-1I0241
- CTK5A0100
- NSC4517
- 5423-21-2
- NSC-4517
- DTXSID00277851
-
- Inchi： 1S/C13H8Br2O3/c14-9-5-7(1-3-11(9)16)13(18)8-2-4-12(17)10(15)6-8/h1-6,16-17H
- InChI Key： AASBDOJNAWKWHT-UHFFFAOYSA-N
- SMILES： BrC1=C(C=CC(=C1)C(C1C=CC(=C(C=1)Br)O)=O)O
Computed Properties
- Exact Mass: 369.88394
- Monoisotopic Mass: 369.884
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 283
- 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: 3.9
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Density: 1.89
- Boiling Point: 483.2°Cat760mmHg
- Flash Point: 246°C
- Refractive Index: 1.689
- PSA: 57.53
- LogP: 3.85380
Methanone,bis(3-bromo-4-hydroxyphenyl)- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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