Cas no 916176-53-9 (1H-Pyrrolo[2,3-b]pyridine, 4-bromo-5-chloro-1-[(4-methylphenyl)sulfonyl]-)
![1H-Pyrrolo[2,3-b]pyridine, 4-bromo-5-chloro-1-[(4-methylphenyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/916500/916176-53-9x500.png)
916176-53-9 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine, 4-bromo-5-chloro-1-[(4-methylphenyl)sulfonyl]-
CAS No:916176-53-9
MF:C14H10BrClN2O2S
MW:385.663400173187
CID:832937
PubChem ID:49758932
Update Time:2025-04-19
1H-Pyrrolo[2,3-b]pyridine, 4-bromo-5-chloro-1-[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolo[2,3-b]pyridine, 4-bromo-5-chloro-1-[(4-methylphenyl)sulfonyl]-
- 8-benzyl-1,2,3,4,5,5a,6,7,9,9a-decahydropyrido[3,4-b]azepine
- 4-bromo-5-chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridine
- 8-Benzyl-decahydro-pyrido[3,4-b]azepine
- UOUXYCQYVQVYCQ-UHFFFAOYSA-N
- MFCD11616447
- SCHEMBL1718205
- 4-Bromo-5-chloro-1-tosyl-7-azaindole
- 916176-53-9
- SY310474
- 1H-Pyrrolo[2,3-b]pyridine,4-bromo-5-chloro-1-[(4-methylphenyl)sulfonyl]-
-
- Inchi： 1S/C14H10BrClN2O2S/c1-9-2-4-10(5-3-9)21(19,20)18-7-6-11-13(15)12(16)8-17-14(11)18/h2-8H,1H3
- InChI Key： UOUXYCQYVQVYCQ-UHFFFAOYSA-N
- SMILES： BrC1C(=CN=C2C=1C=CN2S(C1C=CC(C)=CC=1)(=O)=O)Cl
Computed Properties
- Exact Mass: 383.93300
- Monoisotopic Mass: 383.93349g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 476
- 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: 60.3?2
Experimental Properties
- PSA: 60.34000
- LogP: 5.07840
1H-Pyrrolo[2,3-b]pyridine, 4-bromo-5-chloro-1-[(4-methylphenyl)sulfonyl]- Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
916176-53-9 (1H-Pyrrolo[2,3-b]pyridine, 4-bromo-5-chloro-1-[(4-methylphenyl)sulfonyl]-) Related Products
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