Home Halogens 1-tert-butyl-4-chloro-1H-pyrazolo[3,4-d]pyrimidine

1-tert-butyl-4-chloro-1H-pyrazolo[3,4-d]pyrimidine

CAS No.:
1100365-45-4
Catalog Number:
AG01A2TP
Molecular Formula:
C9H11ClN4
Molecular Weight:
210.6634
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Product Description
Catalog Number:
AG01A2TP
Chemical Name:
1-tert-butyl-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
CAS Number:
1100365-45-4
Molecular Formula:
C9H11ClN4
Molecular Weight:
210.6634
MDL Number:
MFCD11104747
IUPAC Name:
1-tert-butyl-4-chloropyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C9H11ClN4/c1-9(2,3)14-8-6(4-13-14)7(10)11-5-12-8/h4-5H,1-3H3
InChI Key:
BVJFFNHUTCJYSS-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1cnn2C(C)(C)C
Properties
Complexity:
215  
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  
Properties