Home Sulfos 3-chloro-4-(2,2,2-trifluoroacetamido)benzene-1-sulfonyl chloride

3-chloro-4-(2,2,2-trifluoroacetamido)benzene-1-sulfonyl chloride

CAS No.:
1179256-73-5
Catalog Number:
AG01B2WK
Molecular Formula:
C8H4Cl2F3NO3S
Molecular Weight:
322.0885
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Product Description
Catalog Number:
AG01B2WK
Chemical Name:
3-chloro-4-(2,2,2-trifluoroacetamido)benzene-1-sulfonyl chloride
CAS Number:
1179256-73-5
Molecular Formula:
C8H4Cl2F3NO3S
Molecular Weight:
322.0885
MDL Number:
MFCD12850506
IUPAC Name:
3-chloro-4-[(2,2,2-trifluoroacetyl)amino]benzenesulfonyl chloride
InChI:
InChI=1S/C8H4Cl2F3NO3S/c9-5-3-4(18(10,16)17)1-2-6(5)14-7(15)8(11,12)13/h1-3H,(H,14,15)
InChI Key:
NZZVIISZKMELCU-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)Nc1ccc(cc1Cl)S(=O)(=O)Cl
Properties
Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.924g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
322.079g/mol
Monoisotopic Mass:
320.924g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties