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17318-70-6 | Benzenesulfonyl chloride, 4-benzoyl-
CAS No: 17318-70-6 Catalog No: AG001YOK MDL No:
Product Description
Catalog Number:
AG001YOK
Chemical Name:
Benzenesulfonyl chloride, 4-benzoyl-
CAS Number:
17318-70-6
Molecular Formula:
C13H9ClO3S
Molecular Weight:
280.7268
IUPAC Name:
4-benzoylbenzenesulfonyl chloride
InChI:
InChI=1S/C13H9ClO3S/c14-18(16,17)12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
InChI Key:
DXVIQFCYFSKFOR-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)c1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
385
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:
3.4
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