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89454-07-9 | Glycine, N-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-
CAS No: 89454-07-9 Catalog No: AG0042N1 MDL No:
Product Description
Catalog Number:
AG0042N1
Chemical Name:
Glycine, N-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-
CAS Number:
89454-07-9
Molecular Formula:
C13H10ClN5O2
Molecular Weight:
303.7038
IUPAC Name:
2-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]acetic acid
InChI:
InChI=1S/C13H10ClN5O2/c14-8-1-3-9(4-2-8)19-13-10(5-18-19)12(16-7-17-13)15-6-11(20)21/h1-5,7H,6H2,(H,20,21)(H,15,16,17)
InChI Key:
SNQBQNYMQBWJIO-UHFFFAOYSA-N
SMILES:
OC(=O)CNc1ncnc2c1cnn2c1ccc(cc1)Cl
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.052g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.706g/mol
Monoisotopic Mass:
303.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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