Cas no 69789-87-3 (2-chloro-5-hydroxy-6-methyl-1H-indole-3-carbaldehyde)
69789-87-3 structure
Product Name:2-chloro-5-hydroxy-6-methyl-1H-indole-3-carbaldehyde
CAS No:69789-87-3
MF:C10H8ClNO2
MW:209.629021644592
CID:974251
PubChem ID:323740
Update Time:2025-04-19
2-chloro-5-hydroxy-6-methyl-1H-indole-3-carbaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-5-hydroxy-6-methyl-1H-indole-3-carbaldehyde
- 69789-87-3
- 2-chloro-5-hydroxy-6-methyl-1H-indole-3-carboxaldehyde
- 1H-Indole-3-carboxaldehyde, 2-chloro-5-hydroxy-6-methyl-
- DTXSID80314612
- NSC-286449
- NSC286449
- QXO4CS45TL
- UNII-QXO4CS45TL
- Q27287552
-
- Inchi： 1S/C10H8ClNO2/c1-5-2-8-6(3-9(5)14)7(4-13)10(11)12-8/h2-4,12,14H,1H3
- InChI Key： ZXARCVZNIONYBA-UHFFFAOYSA-N
- SMILES： ClC1=C(C=O)C2C=C(C(C)=CC=2N1)O
Computed Properties
- Exact Mass: 209.02444
- Monoisotopic Mass: 209.0243562g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 236
- 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: 53.1?2
Experimental Properties
- PSA: 53.09
2-chloro-5-hydroxy-6-methyl-1H-indole-3-carbaldehyde Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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