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1040662-49-4 | 6-Chloro-N-(3-chloro-4-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CAS No: 1040662-49-4 Catalog No: AG01FMQH MDL No:MFCD11518857
Product Description
Catalog Number:
AG01FMQH
Chemical Name:
6-Chloro-N-(3-chloro-4-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CAS Number:
1040662-49-4
Molecular Formula:
C13H11Cl2N5O
Molecular Weight:
324.1653
MDL Number:
MFCD11518857
IUPAC Name:
6-chloro-N-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
InChI:
InChI=1S/C13H11Cl2N5O/c1-20-12-8(6-16-20)11(18-13(15)19-12)17-7-3-4-10(21-2)9(14)5-7/h3-6H,1-2H3,(H,17,18,19)
InChI Key:
FTXDKWWLXUQBPF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Cl)Nc1nc(Cl)nc2c1cnn2C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.034g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.165g/mol
Monoisotopic Mass:
323.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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