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19143-23-8 | 4-Pyrimidinecarboxaldehyde, 5-[(4-bromophenyl)methyl]-2-(ethylthio)-1,6-dihydro-6-oxo-
CAS No: 19143-23-8 Catalog No: AG002F9A MDL No:
Product Description
Catalog Number:
AG002F9A
Chemical Name:
4-Pyrimidinecarboxaldehyde, 5-[(4-bromophenyl)methyl]-2-(ethylthio)-1,6-dihydro-6-oxo-
CAS Number:
19143-23-8
Molecular Formula:
C14H13BrN2O2S
Molecular Weight:
353.2342
IUPAC Name:
5-[(4-bromophenyl)methyl]-2-ethylsulfanyl-6-oxo-1H-pyrimidine-4-carbaldehyde
InChI:
InChI=1S/C14H13BrN2O2S/c1-2-20-14-16-12(8-18)11(13(19)17-14)7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,16,17,19)
InChI Key:
SNHNRYXFPJLLLT-UHFFFAOYSA-N
SMILES:
CCSc1nc(C=O)c(c(=O)[nH]1)Cc1ccc(cc1)Br
NSC Number:
153749
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.988g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.234g/mol
Monoisotopic Mass:
351.988g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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