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1630906-67-0 | 2H-Pyrazolo[4,3-d]pyrimidine, 5,7-dichloro-2-(1-methylethyl)-
CAS No: 1630906-67-0 Catalog No: AG001TQ0 MDL No:MFCD28501459
Product Description
Catalog Number:
AG001TQ0
Chemical Name:
2H-Pyrazolo[4,3-d]pyrimidine, 5,7-dichloro-2-(1-methylethyl)-
CAS Number:
1630906-67-0
Molecular Formula:
C8H8Cl2N4
Molecular Weight:
231.0819
MDL Number:
MFCD28501459
IUPAC Name:
5,7-dichloro-2-propan-2-ylpyrazolo[4,3-d]pyrimidine
InChI:
InChI=1S/C8H8Cl2N4/c1-4(2)14-3-5-6(13-14)7(9)12-8(10)11-5/h3-4H,1-2H3
InChI Key:
MHAKTMYTHHJMBC-UHFFFAOYSA-N
SMILES:
Clc1nc2cn(nc2c(n1)Cl)C(C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.08g/mol
Monoisotopic Mass:
230.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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