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77422-24-3 | Benzaldehyde, 4-[(4-chlorophenyl)sulfonyl]-
CAS No: 77422-24-3 Catalog No: AG0053S0 MDL No:MFCD00444606
Product Description
Catalog Number:
AG0053S0
Chemical Name:
Benzaldehyde, 4-[(4-chlorophenyl)sulfonyl]-
CAS Number:
77422-24-3
Molecular Formula:
C13H9ClO3S
Molecular Weight:
280.7268
MDL Number:
MFCD00444606
IUPAC Name:
4-(4-chlorophenyl)sulfonylbenzaldehyde
InChI:
InChI=1S/C13H9ClO3S/c14-11-3-7-13(8-4-11)18(16,17)12-5-1-10(9-15)2-6-12/h1-9H
InChI Key:
FVBVLYDUSHDJOK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.996g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.722g/mol
Monoisotopic Mass:
279.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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