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17005-29-7 | 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carbaldehyde
CAS No: 17005-29-7 Catalog No: AG007UIU MDL No:
Product Description
Catalog Number:
AG007UIU
Chemical Name:
2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carbaldehyde
CAS Number:
17005-29-7
Molecular Formula:
C11H9ClN4O
Molecular Weight:
248.6684
IUPAC Name:
2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carbaldehyde
InChI:
InChI=1S/C11H9ClN4O/c12-7-3-1-6(2-4-7)9-8(5-17)15-11(14)16-10(9)13/h1-5H,(H4,13,14,15,16)
InChI Key:
GISMZVDPMITXFT-UHFFFAOYSA-N
SMILES:
O=Cc1nc(N)nc(c1c1ccc(cc1)Cl)N
NSC Number:
107147
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.67g/mol
Monoisotopic Mass:
248.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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