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89239-60-1 | 1H-Pyrazolo[4,3-d]pyrimidine, 7-chloro-1-ethyl-3,5-dimethyl-
CAS No: 89239-60-1 Catalog No: AG00432V MDL No:
Product Description
Catalog Number:
AG00432V
Chemical Name:
1H-Pyrazolo[4,3-d]pyrimidine, 7-chloro-1-ethyl-3,5-dimethyl-
CAS Number:
89239-60-1
Molecular Formula:
C9H11ClN4
Molecular Weight:
210.6634
IUPAC Name:
7-chloro-1-ethyl-3,5-dimethylpyrazolo[4,3-d]pyrimidine
InChI:
InChI=1S/C9H11ClN4/c1-4-14-8-7(5(2)13-14)11-6(3)12-9(8)10/h4H2,1-3H3
InChI Key:
OEMZJXCVHOFGIL-UHFFFAOYSA-N
SMILES:
CCn1nc(c2c1c(Cl)nc(n2)C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.665g/mol
Monoisotopic Mass:
210.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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