The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
1-Methyl-1H-indazole-4-carboxaldehyde , CAS No.1053655-56-3
Basic Description
Synonyms
1-METHYL-1H-INDAZOLE-4-CARBALDEHYDE | 1053655-56-3 | 1-Methyl-1H-indazole-4-carboxaldehyde | 1-methylindazole-4-carbaldehyde | 4-Formyl-1-methyl-1H-indazole | SCHEMBL12217744 | DTXSID30653280 | MFCD10699167 | AKOS005258495 | PB31498 | PS-4757 | CS-0053908 | FT-0685463 | P10987 | A80
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrazoles
Subclass
Indazoles
Intermediate Tree Nodes
Not available
Direct Parent
Indazoles
Alternative Parents
Aryl-aldehydes Benzenoids Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzopyrazole - Indazole - Aryl-aldehyde - Benzenoid - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Hydrocarbon derivative - Aldehyde - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
1-methylindazole-4-carbaldehyde
INCHI
InChI=1S/C9H8N2O/c1-11-9-4-2-3-7(6-12)8(9)5-10-11/h2-6H,1H3
InChIKey
SONWSIAHVBTXPB-UHFFFAOYSA-N
Smiles
CN1C2=CC=CC(=C2C=N1)C=O
Isomeric SMILES
CN1C2=CC=CC(=C2C=N1)C=O
Molecular Weight
160.17
Reaxy-Rn
23755345
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23755345&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
160.170 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
160.064 Da
Monoisotopic Mass
160.064 Da
Topological Polar Surface Area
34.900 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
183.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
