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1788-10-9

1788-10-9 | Benzenesulfonyl chloride, 4-acetyl-

CAS No: 1788-10-9 Catalog No: AG0026C2 MDL No:MFCD00800269

Product Description

Catalog Number:
AG0026C2
Chemical Name:
Benzenesulfonyl chloride, 4-acetyl-
CAS Number:
1788-10-9
Molecular Formula:
C8H7ClO3S
Molecular Weight:
218.6574
MDL Number:
MFCD00800269
IUPAC Name:
4-acetylbenzenesulfonyl chloride
InChI:
InChI=1S/C8H7ClO3S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-5H,1H3
InChI Key:
FXVDNCRTKXMSEZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)S(=O)(=O)Cl
NSC Number:
104128

Properties

Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.98g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.651g/mol
Monoisotopic Mass:
217.98g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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