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1086398-36-8

1086398-36-8 | 7-Chloro-5-amino-pyrazolo[4,3-d]pyrimidine

CAS No: 1086398-36-8 Catalog No: AG01FB59 MDL No:

Product Description

Catalog Number:
AG01FB59
Chemical Name:
7-Chloro-5-amino-pyrazolo[4,3-d]pyrimidine
CAS Number:
1086398-36-8
Molecular Formula:
C5H4ClN5
Molecular Weight:
169.5718
IUPAC Name:
7-chloro-1H-pyrazolo[4,3-d]pyrimidin-5-amine
InChI:
InChI=1S/C5H4ClN5/c6-4-3-2(1-8-11-3)9-5(7)10-4/h1H,(H,8,11)(H2,7,9,10)
InChI Key:
VDEKWYOMNWUSOI-UHFFFAOYSA-N
SMILES:
Nc1nc(Cl)c2c(n1)cn[nH]2

Properties

Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.016g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
169.572g/mol
Monoisotopic Mass:
169.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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