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1340309-17-2 | 4-bromo-2-[(2-methanesulfonylethyl)sulfanyl]benzaldehyde
CAS No: 1340309-17-2 Catalog No: AG01A61H MDL No:MFCD18887643
Product Description
Catalog Number:
AG01A61H
Chemical Name:
4-bromo-2-[(2-methanesulfonylethyl)sulfanyl]benzaldehyde
CAS Number:
1340309-17-2
Molecular Formula:
C10H11BrO3S2
Molecular Weight:
323.2265
MDL Number:
MFCD18887643
IUPAC Name:
4-bromo-2-(2-methylsulfonylethylsulfanyl)benzaldehyde
InChI:
InChI=1S/C10H11BrO3S2/c1-16(13,14)5-4-15-10-6-9(11)3-2-8(10)7-12/h2-3,6-7H,4-5H2,1H3
InChI Key:
JZCHBQPIUYKMBZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1SCCS(=O)(=O)C)Br
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.933g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.219g/mol
Monoisotopic Mass:
321.933g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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