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1824051-49-1 | 2H-Pyrazolo[4,3-d]pyrimidine, 5-chloro-2-methyl-
CAS No: 1824051-49-1 Catalog No: AG0023U1 MDL No:
Product Description
Catalog Number:
AG0023U1
Chemical Name:
2H-Pyrazolo[4,3-d]pyrimidine, 5-chloro-2-methyl-
CAS Number:
1824051-49-1
Molecular Formula:
C6H5ClN4
Molecular Weight:
168.5837
IUPAC Name:
5-chloro-2-methylpyrazolo[4,3-d]pyrimidine
InChI:
InChI=1S/C6H5ClN4/c1-11-3-5-4(10-11)2-8-6(7)9-5/h2-3H,1H3
InChI Key:
XNYSQACNCFMSMQ-UHFFFAOYSA-N
SMILES:
Cn1nc2c(c1)nc(nc2)Cl
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.584g/mol
Monoisotopic Mass:
168.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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