Cas no 116314-64-8 (Benzaldehyde,3,4-dihydroxy-5-(trifluoromethyl)-)
116314-64-8 structure
Product Name:Benzaldehyde,3,4-dihydroxy-5-(trifluoromethyl)-
CAS No:116314-64-8
MF:C8H5F3O3
MW:206.118713140488
CID:131179
PubChem ID:19389188
Update Time:2025-04-19
Benzaldehyde,3,4-dihydroxy-5-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,3,4-dihydroxy-5-(trifluoromethyl)-
- 3,4-dihydroxy-5-(trifluoromethyl)benzaldehyde
- Benzaldehyde, 3,4-dihydroxy-5-(trifluoromethyl)- (9CI)
- 3,4-Dihydroxy-5-trifluoromethyl-benzaldehyde
- 116314-64-8
- DTXSID90598608
- 3,4-dihydroxy-5-trifluoromethylbenzaldehyde
- CHEMBL166908
- SCHEMBL8848334
- BDBM50017847
-
- Inchi： 1S/C8H5F3O3/c9-8(10,11)5-1-4(3-12)2-6(13)7(5)14/h1-3,13-14H
- InChI Key： ZPXDAYCKOAHUCE-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C=O)C=C(C=1O)O)(F)F
Computed Properties
- Exact Mass: 206.01905
- Monoisotopic Mass: 206.01907850g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 216
- 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: 1.6
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Benzaldehyde,3,4-dihydroxy-5-(trifluoromethyl)- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
116314-64-8 (Benzaldehyde,3,4-dihydroxy-5-(trifluoromethyl)-) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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