Cas no 954112-70-0 (1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-chloro-, oxiMe)
![1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-chloro-, oxiMe structure](https://ossimg.kuujia.com/scimg/954500/954112-70-0x500.png)
954112-70-0 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-chloro-, oxiMe
CAS No:954112-70-0
MF:C8H6ClN3O
MW:195.605740070343
CID:835116
PubChem ID:137210842
Update Time:2025-04-19
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-chloro-, oxiMe Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-chloro-, oxiMe
- (E)-1-(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-hydroxymethanimi ne
- QMVSXPXAWHAITB-UHFFFAOYSA-N
- 954112-70-0
- 5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde oxime
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- Inchi： 1S/C8H6ClN3O/c9-6-1-7-5(3-12-13)2-10-8(7)11-4-6/h1-4,13H,(H,10,11)
- InChI Key： QMVSXPXAWHAITB-UHFFFAOYSA-N
- SMILES： ClC1=CN=C2C(=C1)C(C=NO)=CN2
Computed Properties
- Exact Mass: 195.0199395g/mol
- Monoisotopic Mass: 195.0199395g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 212
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.7
- Topological Polar Surface Area: 61.3?2
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-chloro-, oxiMe Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
954112-70-0 (1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-chloro-, oxiMe) Related Products
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