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98141-42-5 | 4,6-dichloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine
CAS No: 98141-42-5 Catalog No: AG0035ZE MDL No:MFCD09750213
Product Description
Catalog Number:
AG0035ZE
Chemical Name:
4,6-dichloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine
CAS Number:
98141-42-5
Molecular Formula:
C6H4Cl2N4
Molecular Weight:
203.0288
MDL Number:
MFCD09750213
IUPAC Name:
4,6-dichloro-1-methylpyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C6H4Cl2N4/c1-12-5-3(2-9-12)4(7)10-6(8)11-5/h2H,1H3
InChI Key:
TYMWHTJGWKSXRY-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c2c(n1)n(C)nc2
NSC Number:
7866
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.981g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.026g/mol
Monoisotopic Mass:
201.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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