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1040662-70-1 | 6-Chloro-N-(3-chloro-4-methylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CAS No: 1040662-70-1 Catalog No: AG01FMSH MDL No:MFCD11518863
Product Description
Catalog Number:
AG01FMSH
Chemical Name:
6-Chloro-N-(3-chloro-4-methylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CAS Number:
1040662-70-1
Molecular Formula:
C13H11Cl2N5
Molecular Weight:
308.1659
MDL Number:
MFCD11518863
IUPAC Name:
6-chloro-N-(3-chloro-4-methylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
InChI:
InChI=1S/C13H11Cl2N5/c1-7-3-4-8(5-10(7)14)17-11-9-6-16-20(2)12(9)19-13(15)18-11/h3-6H,1-2H3,(H,17,18,19)
InChI Key:
XZIGWEPZGBEBCD-UHFFFAOYSA-N
SMILES:
Clc1nc(Nc2ccc(c(c2)Cl)C)c2c(n1)n(C)nc2
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.039g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.166g/mol
Monoisotopic Mass:
307.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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