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903129-71-5 | tert-Butyl 2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
CAS No: 903129-71-5 Catalog No: AG0034BT MDL No:MFCD08273919
Product Description
Catalog Number:
AG0034BT
Chemical Name:
tert-Butyl 2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
CAS Number:
903129-71-5
Molecular Formula:
C11H13Cl2N3O2
Molecular Weight:
290.1458
MDL Number:
MFCD08273919
IUPAC Name:
tert-butyl 2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C11H13Cl2N3O2/c1-11(2,3)18-10(17)16-4-6-7(5-16)14-9(13)15-8(6)12/h4-5H2,1-3H3
InChI Key:
WUYSMOCOXBLFKK-UHFFFAOYSA-N
SMILES:
Clc1nc2CN(Cc2c(n1)Cl)C(=O)OC(C)(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.144g/mol
Monoisotopic Mass:
289.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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