Home Halogens 3-((Benzyloxy)methyl)-6-chloro-4-methoxy-1H-pyrazolo[3,4-d]pyrimidine

3-((Benzyloxy)methyl)-6-chloro-4-methoxy-1H-pyrazolo[3,4-d]pyrimidine

CAS No.:
2055072-00-7
Catalog Number:
AG01CCSC
Molecular Formula:
C14H13ClN4O2
Molecular Weight:
304.7316
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Product Description
Catalog Number:
AG01CCSC
Chemical Name:
3-((Benzyloxy)methyl)-6-chloro-4-methoxy-1H-pyrazolo[3,4-d]pyrimidine
CAS Number:
2055072-00-7
Molecular Formula:
C14H13ClN4O2
Molecular Weight:
304.7316
MDL Number:
MFCD31630933
IUPAC Name:
6-chloro-4-methoxy-3-(phenylmethoxymethyl)-2H-pyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C14H13ClN4O2/c1-20-13-11-10(18-19-12(11)16-14(15)17-13)8-21-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,16,17,18,19)
InChI Key:
SBVOQPRADCAMBM-UHFFFAOYSA-N
SMILES:
COc1nc(Cl)nc2c1c(COCc1ccccc1)n[nH]2
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.073g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
304.734g/mol
Monoisotopic Mass:
304.073g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties