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1190927-74-2 | 5H-Pyrrolo[3,4-d]pyrimidine, 2,4-dichloro-6,7-dihydro-, hydrochloride (1:1)
CAS No: 1190927-74-2 Catalog No: AG000I5O MDL No:MFCD09835495
Product Description
Catalog Number:
AG000I5O
Chemical Name:
5H-Pyrrolo[3,4-d]pyrimidine, 2,4-dichloro-6,7-dihydro-, hydrochloride (1:1)
CAS Number:
1190927-74-2
Molecular Formula:
C6H6Cl3N3
Molecular Weight:
226.4909
MDL Number:
MFCD09835495
IUPAC Name:
2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
InChI:
InChI=1S/C6H5Cl2N3.ClH/c7-5-3-1-9-2-4(3)10-6(8)11-5;/h9H,1-2H2;1H
InChI Key:
HQPWDHFFMDIBDT-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c2c(n1)CNC2.Cl
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.485g/mol
Monoisotopic Mass:
224.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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