Home Sulfos 3-bromo-4-(2,2-difluoroacetamido)benzene-1-sulfonyl chloride

3-bromo-4-(2,2-difluoroacetamido)benzene-1-sulfonyl chloride

CAS No.:
1695744-02-5
Catalog Number:
AG01DVT4
Molecular Formula:
C8H5BrClF2NO3S
Molecular Weight:
348.5490
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Product Description
Catalog Number:
AG01DVT4
Chemical Name:
3-bromo-4-(2,2-difluoroacetamido)benzene-1-sulfonyl chloride
CAS Number:
1695744-02-5
Molecular Formula:
C8H5BrClF2NO3S
Molecular Weight:
348.5490
MDL Number:
MFCD31690395
IUPAC Name:
3-bromo-4-[(2,2-difluoroacetyl)amino]benzenesulfonyl chloride
InChI:
InChI=1S/C8H5BrClF2NO3S/c9-5-3-4(17(10,15)16)1-2-6(5)13-8(14)7(11)12/h1-3,7H,(H,13,14)
InChI Key:
KADLNGDATBTDNI-UHFFFAOYSA-N
SMILES:
O=C(C(F)F)Nc1ccc(cc1Br)S(=O)(=O)Cl
Properties
Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.883g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
348.543g/mol
Monoisotopic Mass:
346.883g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties