Cas no 26422-97-9 (4-Chloro-9-methyl-9H-pyrimido[4,5-B]indole)
![4-Chloro-9-methyl-9H-pyrimido[4,5-B]indole structure](https://ossimg.kuujia.com/scimg/26500/26422-97-9x500.png)
26422-97-9 structure
Product Name:4-Chloro-9-methyl-9H-pyrimido[4,5-B]indole
CAS No:26422-97-9
MF:C11H8ClN3
MW:217.654320716858
CID:2838414
PubChem ID:15696030
Update Time:2025-04-21
4-Chloro-9-methyl-9H-pyrimido[4,5-B]indole Chemical and Physical Properties
Names and Identifiers
-
- 4-CHLORO-9-METHYL-9H-PYRIMIDO[4,5-B]INDOLE
- SCHEMBL7222201
- 26422-97-9
- AB68359
- 4-Chloro-9-methyl-9H-pyrimido[4,5-B]indole
-
- Inchi： 1S/C11H8ClN3/c1-15-8-5-3-2-4-7(8)9-10(12)13-6-14-11(9)15/h2-6H,1H3
- InChI Key： DXXSSUDCRUAZLW-UHFFFAOYSA-N
- SMILES： ClC1=C2C(=NC=N1)N(C)C1C=CC=CC=12
Computed Properties
- Exact Mass: 217.0406750Da
- Monoisotopic Mass: 217.0406750Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 248
- 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: 2.9
- Topological Polar Surface Area: 30.7?2
4-Chloro-9-methyl-9H-pyrimido[4,5-B]indole Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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