Cas no 832097-02-6 (Benzaldehyde, 3-chloro-2-hydroxy-5-(hydroxymethyl)-)
832097-02-6 structure
Product Name:Benzaldehyde, 3-chloro-2-hydroxy-5-(hydroxymethyl)-
CAS No:832097-02-6
MF:C8H7ClO3
MW:186.592381715775
CID:676651
PubChem ID:71416095
Update Time:2025-04-19
Benzaldehyde, 3-chloro-2-hydroxy-5-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzaldehyde, 3-chloro-2-hydroxy-5-(hydroxymethyl)-
- 3-chloro-2-hydroxy-5-(hydroxymethyl)benzaldehyde
- DTXSID20835497
- 832097-02-6
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- Inchi： 1S/C8H7ClO3/c9-7-2-5(3-10)1-6(4-11)8(7)12/h1-2,4,10,12H,3H2
- InChI Key： XZYGUVYNSYTWJM-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C=O)C=C(CO)C=1)O
Computed Properties
- Exact Mass: 186.0083718g/mol
- Monoisotopic Mass: 186.0083718g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 162
- 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: 1.3
- Topological Polar Surface Area: 57.5?2
Benzaldehyde, 3-chloro-2-hydroxy-5-(hydroxymethyl)- Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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