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1196157-42-2 | 1H-Pyrazolo[4,3-d]pyrimidine, 5,7-dichloro-
CAS No: 1196157-42-2 Catalog No: AG000PD7 MDL No:MFCD09909759
Product Description
Catalog Number:
AG000PD7
Chemical Name:
1H-Pyrazolo[4,3-d]pyrimidine, 5,7-dichloro-
CAS Number:
1196157-42-2
Molecular Formula:
C5H2Cl2N4
Molecular Weight:
189.0022
MDL Number:
MFCD09909759
IUPAC Name:
5,7-dichloro-1H-pyrazolo[4,3-d]pyrimidine
InChI:
InChI=1S/C5H2Cl2N4/c6-4-3-2(1-8-11-3)9-5(7)10-4/h1H,(H,8,11)
InChI Key:
VZKKWJMYABEAEE-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c2c(n1)cn[nH]2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.966g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.999g/mol
Monoisotopic Mass:
187.966g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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