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Home > Aldehydes > 1379327-84-0
1379327-84-0 | 5-chloro-2-(ethanesulfonyl)benzaldehyde
CAS No: 1379327-84-0 Catalog No: AG01A283 MDL No:MFCD16619553
Product Description
Catalog Number:
AG01A283
Chemical Name:
5-chloro-2-(ethanesulfonyl)benzaldehyde
CAS Number:
1379327-84-0
Molecular Formula:
C9H9ClO3S
Molecular Weight:
232.6840
MDL Number:
MFCD16619553
IUPAC Name:
5-chloro-2-ethylsulfonylbenzaldehyde
InChI:
InChI=1S/C9H9ClO3S/c1-2-14(12,13)9-4-3-8(10)5-7(9)6-11/h3-6H,2H2,1H3
InChI Key:
WZLFJNOVMKSUQN-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)ccc1S(=O)(=O)CC
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
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