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20535-54-0 | 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(3,4-dichlorophenyl)-
CAS No: 20535-54-0 Catalog No: AG002A07 MDL No:
Product Description
Catalog Number:
AG002A07
Chemical Name:
4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(3,4-dichlorophenyl)-
CAS Number:
20535-54-0
Molecular Formula:
C11H8Cl2N4O
Molecular Weight:
283.1134
IUPAC Name:
2,6-diamino-5-(3,4-dichlorophenyl)pyrimidine-4-carbaldehyde
InChI:
InChI=1S/C11H8Cl2N4O/c12-6-2-1-5(3-7(6)13)9-8(4-18)16-11(15)17-10(9)14/h1-4H,(H4,14,15,16,17)
InChI Key:
QRFQFWHOMFXVPX-UHFFFAOYSA-N
SMILES:
O=Cc1nc(N)nc(c1c1ccc(c(c1)Cl)Cl)N
NSC Number:
111728
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.008g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.112g/mol
Monoisotopic Mass:
282.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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