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1196156-72-5 | 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 4-chloro-, methyl ester
CAS No: 1196156-72-5 Catalog No: AG000PCI MDL No:MFCD13189897
Product Description
Catalog Number:
AG000PCI
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 4-chloro-, methyl ester
CAS Number:
1196156-72-5
Molecular Formula:
C8H6ClN3O2
Molecular Weight:
211.6051
MDL Number:
MFCD13189897
IUPAC Name:
methyl 4-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
InChI:
InChI=1S/C8H6ClN3O2/c1-14-8(13)5-2-10-7-4(6(5)9)3-11-12-7/h2-3H,1H3,(H,10,11,12)
InChI Key:
RNZXDWDBIWTDIS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1Cl)cn[nH]2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.605g/mol
Monoisotopic Mass:
211.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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