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1380571-58-3 | 5H-Pyrrolo[3,4-d]pyrimidine, 6,7-dihydro-2-phenyl-, hydrochloride (1:2)
CAS No: 1380571-58-3 Catalog No: AG0017X5 MDL No:
Product Description
Catalog Number:
AG0017X5
Chemical Name:
5H-Pyrrolo[3,4-d]pyrimidine, 6,7-dihydro-2-phenyl-, hydrochloride (1:2)
CAS Number:
1380571-58-3
Molecular Formula:
C12H13Cl2N3
Molecular Weight:
270.1577
IUPAC Name:
2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
InChI:
InChI=1S/C12H11N3.ClH/c1-2-4-9(5-3-1)12-14-7-10-6-13-8-11(10)15-12;/h1-5,7,13H,6,8H2;1H
InChI Key:
RNMBMUWUGGHKAA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ncc2c(n1)CNC2.Cl.Cl
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.699g/mol
Monoisotopic Mass:
233.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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