Cas no 797784-43-1 (Benzaldehyde,3-bromo-5-ethyl-4-hydroxy-)
797784-43-1 structure
Product Name:Benzaldehyde,3-bromo-5-ethyl-4-hydroxy-
CAS No:797784-43-1
MF:C9H9BrO2
MW:229.070562124252
CID:556673
PubChem ID:45095701
Update Time:2025-04-19
Benzaldehyde,3-bromo-5-ethyl-4-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,3-bromo-5-ethyl-4-hydroxy-
- 3-bromo-5-ethyl-4-hydroxybenzaldehyde
- Benzaldehyde, 3-bromo-5-ethyl-4-hydroxy- (9CI)
- DTXSID50667425
- 797784-43-1
- NUJVYNCHMMVKBG-UHFFFAOYSA-N
- SCHEMBL5528670
-
- Inchi： 1S/C9H9BrO2/c1-2-7-3-6(5-11)4-8(10)9(7)12/h3-5,12H,2H2,1H3
- InChI Key： NUJVYNCHMMVKBG-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=O)C=C(C=1O)CC
Computed Properties
- Exact Mass: 227.97859g/mol
- Monoisotopic Mass: 227.97859g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 161
- 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: 2.5
- Topological Polar Surface Area: 37.3?2
Benzaldehyde,3-bromo-5-ethyl-4-hydroxy- Related Literature
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2. 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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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