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Home > Aldehydes > 111953-91-4
111953-91-4 | 5-Pyrimidinecarboxaldehyde, 4,6-dichloro-2-(diethylamino)-
CAS No: 111953-91-4 Catalog No: AG007DDR MDL No:
Product Description
Catalog Number:
AG007DDR
Chemical Name:
5-Pyrimidinecarboxaldehyde, 4,6-dichloro-2-(diethylamino)-
CAS Number:
111953-91-4
Molecular Formula:
C9H11Cl2N3O
Molecular Weight:
248.1091
IUPAC Name:
4,6-dichloro-2-(diethylamino)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H11Cl2N3O/c1-3-14(4-2)9-12-7(10)6(5-15)8(11)13-9/h5H,3-4H2,1-2H3
InChI Key:
DPLGWONNJCISKN-UHFFFAOYSA-N
SMILES:
CCN(c1nc(Cl)c(c(n1)Cl)C=O)CC
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.107g/mol
Monoisotopic Mass:
247.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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