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931720-94-4 | 6-Chloro-N-(4-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CAS No: 931720-94-4 Catalog No: AG01FMSJ MDL No:MFCD11518856
Product Description
Catalog Number:
AG01FMSJ
Chemical Name:
6-Chloro-N-(4-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CAS Number:
931720-94-4
Molecular Formula:
C12H9Cl2N5
Molecular Weight:
294.1394
MDL Number:
MFCD11518856
IUPAC Name:
6-chloro-N-(4-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
InChI:
InChI=1S/C12H9Cl2N5/c1-19-11-9(6-15-19)10(17-12(14)18-11)16-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,16,17,18)
InChI Key:
QRGSBPAYQWSHNG-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Nc1nc(Cl)nc2c1cnn2C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.024g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.139g/mol
Monoisotopic Mass:
293.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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