Home Halogens 4-bromo-2-(ethylsulfanyl)benzaldehyde

4-bromo-2-(ethylsulfanyl)benzaldehyde

CAS No.:
1342646-67-6
Catalog Number:
AG01A591
Molecular Formula:
C9H9BrOS
Molecular Weight:
245.1362
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Product Description
Catalog Number:
AG01A591
Chemical Name:
4-bromo-2-(ethylsulfanyl)benzaldehyde
CAS Number:
1342646-67-6
Molecular Formula:
C9H9BrOS
Molecular Weight:
245.1362
MDL Number:
MFCD18887666
IUPAC Name:
4-bromo-2-ethylsulfanylbenzaldehyde
InChI:
InChI=1S/C9H9BrOS/c1-2-12-9-5-8(10)4-3-7(9)6-11/h3-6H,2H2,1H3
InChI Key:
RVDIOIZTWJEBFD-UHFFFAOYSA-N
SMILES:
CCSc1cc(Br)ccc1C=O
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.956g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.134g/mol
Monoisotopic Mass:
243.956g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties