Cas no 125001-04-9 (Benzaldehyde, 2,3-dichloro-4,5-dihydroxy- (9CI))
125001-04-9 structure
Product Name:Benzaldehyde, 2,3-dichloro-4,5-dihydroxy- (9CI)
CAS No:125001-04-9
MF:C7H4Cl2O3
MW:207.010860443115
CID:1022385
PubChem ID:14748636
Update Time:2025-04-20
Benzaldehyde, 2,3-dichloro-4,5-dihydroxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2,3-dichloro-4,5-dihydroxy- (9CI)
- 2,3-dichloro-4,5-dihydroxybenzaldehyde
- 125001-04-9
- DRELBLKEYWKKNI-UHFFFAOYSA-N
- BENZALDEHYDE, 2,3-DICHLORO-4,5-DIHYDROXY-
- SCHEMBL10399122
- DB-273526
- DTXSID00563605
-
- Inchi: 1S/C7H4Cl2O3/c8-5-3(2-10)1-4(11)7(12)6(5)9/h1-2,11-12H
- InChI Key: DRELBLKEYWKKNI-UHFFFAOYSA-N
- SMILES: ClC1=C(C(=C(C=C1C=O)O)O)Cl
Computed Properties
- Exact Mass: 205.95382
- Monoisotopic Mass: 205.9537494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 176
- 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: 1.9
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Benzaldehyde, 2,3-dichloro-4,5-dihydroxy- (9CI) Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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