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CHEMHERE CHEM105266

CAS No.:
1260535-94-1
Catalog Number:
AG01ELGH
Molecular Formula:
C9H10ClN3
Molecular Weight:
195.6488
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Product Description
Catalog Number:
AG01ELGH
Chemical Name:
CHEMHERE CHEM105266
CAS Number:
1260535-94-1
Molecular Formula:
C9H10ClN3
Molecular Weight:
195.6488
MDL Number:
MFCD28643575
IUPAC Name:
4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C9H10ClN3/c1-5(2)8-7-6(10)3-4-11-9(7)13-12-8/h3-5H,1-2H3,(H,11,12,13)
InChI Key:
XAWZPCYFBBSSFU-UHFFFAOYSA-N
SMILES:
CC(c1n[nH]c2c1c(Cl)ccn2)C
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.65g/mol
Monoisotopic Mass:
195.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties