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Home > Aldehydes > 1342976-08-2
1342976-08-2 | 2-[(3-BROMOPHENYL)SULFANYL]ACETALDEHYDE
CAS No: 1342976-08-2 Catalog No: AG01BIUK MDL No:MFCD17225415
Product Description
Catalog Number:
AG01BIUK
Chemical Name:
2-[(3-BROMOPHENYL)SULFANYL]ACETALDEHYDE
CAS Number:
1342976-08-2
Molecular Formula:
C8H7BrOS
Molecular Weight:
231.1096
MDL Number:
MFCD17225415
IUPAC Name:
2-(3-bromophenyl)sulfanylacetaldehyde
InChI:
InChI=1S/C8H7BrOS/c9-7-2-1-3-8(6-7)11-5-4-10/h1-4,6H,5H2
InChI Key:
OTIHOXNSQWRNJN-UHFFFAOYSA-N
SMILES:
O=CCSc1cccc(c1)Br
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.94g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.107g/mol
Monoisotopic Mass:
229.94g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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