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705292-04-2 | 2-(tert-Butyl)-8-iodopyrido[4,3-d]pyrimidin-4(3H)-one
CAS No: 705292-04-2 Catalog No: AG005I4V MDL No:MFCD20921946
Product Description
Catalog Number:
AG005I4V
Chemical Name:
2-(tert-Butyl)-8-iodopyrido[4,3-d]pyrimidin-4(3H)-one
CAS Number:
705292-04-2
Molecular Formula:
C11H12IN3O
Molecular Weight:
329.1369
MDL Number:
MFCD20921946
IUPAC Name:
2-tert-butyl-8-iodo-3H-pyrido[4,3-d]pyrimidin-4-one
InChI:
InChI=1S/C11H12IN3O/c1-11(2,3)10-14-8-6(9(16)15-10)4-13-5-7(8)12/h4-5H,1-3H3,(H,14,15,16)
InChI Key:
IQRHMPIZUMMICG-UHFFFAOYSA-N
SMILES:
Ic1cncc2c1nc([nH]c2=O)C(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:
329.003g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.141g/mol
Monoisotopic Mass:
329.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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