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898911-37-0

898911-37-0 | 6-CHLORO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBALDEHYDE

CAS No: 898911-37-0 Catalog No: AG01DIOV MDL No:MFCD22060096

Product Description

Catalog Number:
AG01DIOV
Chemical Name:
6-CHLORO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBALDEHYDE
CAS Number:
898911-37-0
Molecular Formula:
C8H6ClN3O
Molecular Weight:
195.6057
MDL Number:
MFCD22060096
IUPAC Name:
6-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carbaldehyde
InChI:
InChI=1S/C8H6ClN3O/c1-12-8-5(3-10-12)2-6(4-13)7(9)11-8/h2-4H,1H3
InChI Key:
XJHIGWNRBZZZAB-UHFFFAOYSA-N
SMILES:
Cn1ncc2c1nc(Cl)c(c2)C=O

Properties

Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.606g/mol
Monoisotopic Mass:
195.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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