Cas no 866541-71-1 (Benzoic acid, 4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-)
![Benzoic acid, 4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)- structure](https://ossimg.kuujia.com/scimg/867000/866541-71-1x500.png)
866541-71-1 structure
Product Name:Benzoic acid, 4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-
CAS No:866541-71-1
MF:C14H9ClN2O2
MW:272.686462163925
CID:835033
PubChem ID:57597998
Update Time:2025-04-19
Benzoic acid, 4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-
- 4-(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
- 4-(5-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)-BENZOIC ACID
- SCHEMBL8940901
- Benzoic acid,4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-
- 866541-71-1
-
- Inchi： 1S/C14H9ClN2O2/c15-10-5-11-12(7-17-13(11)16-6-10)8-1-3-9(4-2-8)14(18)19/h1-7H,(H,16,17)(H,18,19)
- InChI Key： DXNQRSIWCCUYLD-UHFFFAOYSA-N
- SMILES： ClC1=CN=C2C(=C1)C(=CN2)C1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 272.0352552g/mol
- Monoisotopic Mass: 272.0352552g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 344
- 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: 3.1
- Topological Polar Surface Area: 66?2
Benzoic acid, 4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)- Related Literature
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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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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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