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1003298-79-0 | 1H-Pyrazolo[3,4-d]pyrimidin-6-amine, 3-bromo-4-chloro-
CAS No: 1003298-79-0 Catalog No: AG0001M9 MDL No:MFCD13193632
Product Description
Catalog Number:
AG0001M9
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidin-6-amine, 3-bromo-4-chloro-
CAS Number:
1003298-79-0
Molecular Formula:
C5H3BrClN5
Molecular Weight:
248.4678
MDL Number:
MFCD13193632
IUPAC Name:
3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine
InChI:
InChI=1S/C5H3BrClN5/c6-2-1-3(7)9-5(8)10-4(1)12-11-2/h(H3,8,9,10,11,12)
InChI Key:
QOWUSMIVHAPTKO-UHFFFAOYSA-N
SMILES:
Nc1nc(Cl)c2c(n1)[nH]nc2Br
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.926g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.468g/mol
Monoisotopic Mass:
246.926g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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