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105126-89-4 | (4-BROMO-PHENYLSULFANYL)-ACETALDEHYDE
CAS No: 105126-89-4 Catalog No: AG01BIUL MDL No:MFCD11585671
Product Description
Catalog Number:
AG01BIUL
Chemical Name:
(4-BROMO-PHENYLSULFANYL)-ACETALDEHYDE
CAS Number:
105126-89-4
Molecular Formula:
C8H7BrOS
Molecular Weight:
231.1096
MDL Number:
MFCD11585671
IUPAC Name:
2-(4-bromophenyl)sulfanylacetaldehyde
InChI:
InChI=1S/C8H7BrOS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-5H,6H2
InChI Key:
SKVXWEQQTLUNJJ-UHFFFAOYSA-N
SMILES:
O=CCSc1ccc(cc1)Br
Properties
Complexity:
121
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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