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Home > Aldehydes > 886502-49-4
886502-49-4 | 4-Bromo-5-(4-methyl-pyrimidin-2-ylsulfanyl)-furan-2-carbaldehyde
CAS No: 886502-49-4 Catalog No: AG01EYEY MDL No:
Product Description
Catalog Number:
AG01EYEY
Chemical Name:
4-Bromo-5-(4-methyl-pyrimidin-2-ylsulfanyl)-furan-2-carbaldehyde
CAS Number:
886502-49-4
Molecular Formula:
C10H7BrN2O2S
Molecular Weight:
299.1438
IUPAC Name:
4-bromo-5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde
InChI:
InChI=1S/C10H7BrN2O2S/c1-6-2-3-12-10(13-6)16-9-8(11)4-7(5-14)15-9/h2-5H,1H3
InChI Key:
GGEFZUKTBKGNAS-UHFFFAOYSA-N
SMILES:
O=Cc1cc(c(o1)Sc1nccc(n1)C)Br
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.941g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.142g/mol
Monoisotopic Mass:
297.941g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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