Cas no 72995-19-8 (1H-Indole, 4-chloro-2,3-dihydro-2-methyl-)
72995-19-8 structure
Product Name:1H-Indole, 4-chloro-2,3-dihydro-2-methyl-
CAS No:72995-19-8
MF:C9H10ClN
MW:167.635401248932
CID:543158
PubChem ID:20479678
Update Time:2025-04-19
1H-Indole, 4-chloro-2,3-dihydro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole, 4-chloro-2,3-dihydro-2-methyl-
- 4-chloro-2-methyl-2,3-dihydro-1H-indole
- 4-chloro-2-methylindoline
- YOYCNNJAIOQWMD-UHFFFAOYSA-N
- 2-methyl-4-chloroindoline
- SCHEMBL12476744
- DTXSID30607768
- 72995-19-8
- SCHEMBL11170515
- FT-0702751
-
- Inchi: 1S/C9H10ClN/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-4,6,11H,5H2,1H3
- InChI Key: YOYCNNJAIOQWMD-UHFFFAOYSA-N
- SMILES: ClC1=CC=CC2=C1CC(C)N2
Computed Properties
- Exact Mass: 167.0503
- Monoisotopic Mass: 167.0501770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 149
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 12?2
Experimental Properties
- PSA: 12.03
1H-Indole, 4-chloro-2,3-dihydro-2-methyl- 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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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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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4. 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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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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