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21328-03-0 | 5-(4-chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde
CAS No: 21328-03-0 Catalog No: AG0072XX MDL No:
Product Description
Catalog Number:
AG0072XX
Chemical Name:
5-(4-chlorobenzyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde
CAS Number:
21328-03-0
Molecular Formula:
C12H9ClN2O3
Molecular Weight:
264.6645
IUPAC Name:
5-[(4-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carbaldehyde
InChI:
InChI=1S/C12H9ClN2O3/c13-8-3-1-7(2-4-8)5-9-10(6-16)14-12(18)15-11(9)17/h1-4,6H,5H2,(H2,14,15,17,18)
InChI Key:
UWBOXXYMHMKQSX-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]c(=O)[nH]c(=O)c1Cc1ccc(cc1)Cl
NSC Number:
153708
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.665g/mol
Monoisotopic Mass:
264.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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