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1260664-22-9 | 1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid, 5-chloro-
CAS No: 1260664-22-9 Catalog No: AG000QZI MDL No:MFCD18250842
Product Description
Catalog Number:
AG000QZI
Chemical Name:
1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid, 5-chloro-
CAS Number:
1260664-22-9
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
MDL Number:
MFCD18250842
IUPAC Name:
5-chloro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H4ClN3O2/c8-5-1-3-4(2-9-5)10-11-6(3)7(12)13/h1-2H,(H,10,11)(H,12,13)
InChI Key:
NDKDFVSFMVATOK-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c2c1cc(Cl)nc2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.578g/mol
Monoisotopic Mass:
196.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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