Home Sulfos 3-chloro-2-(ethanesulfonyl)benzaldehyde

3-chloro-2-(ethanesulfonyl)benzaldehyde

CAS No.:
1379324-69-2
Catalog Number:
AG01AD7M
Molecular Formula:
C9H9ClO3S
Molecular Weight:
232.6840
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Product Description
Catalog Number:
AG01AD7M
Chemical Name:
3-chloro-2-(ethanesulfonyl)benzaldehyde
CAS Number:
1379324-69-2
Molecular Formula:
C9H9ClO3S
Molecular Weight:
232.6840
MDL Number:
MFCD16619554
IUPAC Name:
3-chloro-2-ethylsulfonylbenzaldehyde
InChI:
InChI=1S/C9H9ClO3S/c1-2-14(12,13)9-7(6-11)4-3-5-8(9)10/h3-6H,2H2,1H3
InChI Key:
QYMLLHWTCUWUHH-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1S(=O)(=O)CC)Cl
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.996g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.678g/mol
Monoisotopic Mass:
231.996g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties