Cas no 1976038-44-4 (tert-Butyl 4-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate)
![tert-Butyl 4-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate structure](https://ossimg.kuujia.com/scimg/1976500/1976038-44-4x500.png)
1976038-44-4 structure
Product Name:tert-Butyl 4-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
CAS No:1976038-44-4
MF:C12H12BrClN2O2
MW:331.592881202698
CID:6936479
PubChem ID:170994784
Update Time:2025-05-08
tert-Butyl 4-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 1976038-44-4
- tert-butyl 4-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
- DB-433516
- tert-Butyl 4-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
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- Inchi： 1S/C12H12BrClN2O2/c1-12(2,3)18-11(17)16-5-4-7-8(13)6-9(14)15-10(7)16/h4-6H,1-3H3
- InChI Key： KXJHFCLAUZXBTC-UHFFFAOYSA-N
- SMILES： BrC1C=C(N=C2C=1C=CN2C(=O)OC(C)(C)C)Cl
Computed Properties
- Exact Mass: 329.97707Da
- Monoisotopic Mass: 329.97707Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 335
- 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: 4.2
- Topological Polar Surface Area: 44.1?2
tert-Butyl 4-bromo-6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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