Cas no 343633-12-5 (7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-2-phenyl-7-(phenylsulfonyl)-)
![7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-2-phenyl-7-(phenylsulfonyl)- structure](https://ossimg.kuujia.com/scimg/344000/343633-12-5x500.png)
343633-12-5 structure
Product Name:7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-2-phenyl-7-(phenylsulfonyl)-
CAS No:343633-12-5
MF:C18H12ClN3O2S
MW:369.824781417847
CID:1463206
PubChem ID:20612406
Update Time:2025-04-20
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-2-phenyl-7-(phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-2-phenyl-7-(phenylsulfonyl)-
- 4-chloro-2-phenyl-7-(phenylsulfonyl)-7H-Pyrrolo[2,3-d]pyrimidine
- SCHEMBL3255296
- 343633-12-5
- ZDXMIROBGXIZOK-UHFFFAOYSA-N
- DA-39669
- 7-Benzenesulfonyl-4-chloro-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine
-
- Inchi： 1S/C18H12ClN3O2S/c19-16-15-11-12-22(25(23,24)14-9-5-2-6-10-14)18(15)21-17(20-16)13-7-3-1-4-8-13/h1-12H
- InChI Key： ZDXMIROBGXIZOK-UHFFFAOYSA-N
- SMILES： ClC1=C2C=CN(C2=NC(C2C=CC=CC=2)=N1)S(C1C=CC=CC=1)(=O)=O
Computed Properties
- Exact Mass: 369.03406
- Monoisotopic Mass: 369.0338755g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 555
- 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: 4.5
- Topological Polar Surface Area: 73.2?2
Experimental Properties
- PSA: 64.85
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-2-phenyl-7-(phenylsulfonyl)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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