Cas no 920023-47-8 (1H-Indole-3-carboxylic acid, 6-chloro-2-methyl-)
920023-47-8 structure
Product Name:1H-Indole-3-carboxylic acid, 6-chloro-2-methyl-
CAS No:920023-47-8
MF:C10H8ClNO2
MW:209.629021644592
CID:759576
PubChem ID:45121065
Update Time:2025-04-19
1H-Indole-3-carboxylic acid, 6-chloro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-carboxylic acid, 6-chloro-2-methyl-
- 6-chloro-2-methyl-1H-indole-3-carboxylic acid
- HTEXXHGWBCGGJW-UHFFFAOYSA-N
- 920023-47-8
- SCHEMBL614551
- DTXSID60669117
-
- Inchi： 1S/C10H8ClNO2/c1-5-9(10(13)14)7-3-2-6(11)4-8(7)12-5/h2-4,12H,1H3,(H,13,14)
- InChI Key： HTEXXHGWBCGGJW-UHFFFAOYSA-N
- SMILES： ClC1C=CC2C(C(=O)O)=C(C)NC=2C=1
Computed Properties
- Exact Mass: 209.024
- Monoisotopic Mass: 209.024
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 246
- 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
- Topological Polar Surface Area: 53.1A^2
- XLogP3: 2.6
1H-Indole-3-carboxylic acid, 6-chloro-2-methyl- Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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