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1245643-17-7 | 1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1-methyl-3-(2,2,2-trifluoroethyl)-
CAS No: 1245643-17-7 Catalog No: AG000M8G MDL No:
Product Description
Catalog Number:
AG000M8G
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1-methyl-3-(2,2,2-trifluoroethyl)-
CAS Number:
1245643-17-7
Molecular Formula:
C8H6ClF3N4
Molecular Weight:
250.6082
IUPAC Name:
4-chloro-1-methyl-3-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidine
InChI:
InChI=1S/C8H6ClF3N4/c1-16-7-5(6(9)13-3-14-7)4(15-16)2-8(10,11)12/h3H,2H2,1H3
InChI Key:
AWSYXPXKFWOMAT-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1c(nn2C)CC(F)(F)F
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.609g/mol
Monoisotopic Mass:
250.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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