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779323-58-9 | 6-Benzyl-2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CAS No: 779323-58-9 Catalog No: AG0056IG MDL No:MFCD08273925
Product Description
Catalog Number:
AG0056IG
Chemical Name:
6-Benzyl-2,4-dichloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CAS Number:
779323-58-9
Molecular Formula:
C13H11Cl2N3
Molecular Weight:
280.1525
MDL Number:
MFCD08273925
IUPAC Name:
6-benzyl-2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine
InChI:
InChI=1S/C13H11Cl2N3/c14-12-10-7-18(6-9-4-2-1-3-5-9)8-11(10)16-13(15)17-12/h1-5H,6-8H2
InChI Key:
RZSMZEYQFCOUKN-UHFFFAOYSA-N
SMILES:
Clc1nc2CN(Cc2c(n1)Cl)Cc1ccccc1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.033g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.152g/mol
Monoisotopic Mass:
279.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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