Home Sulfos 3-bromo-4-nitrobenzene-1-sulfonyl chloride

3-bromo-4-nitrobenzene-1-sulfonyl chloride

CAS No.:
1181458-26-3
Catalog Number:
AG019VIK
Molecular Formula:
C6H3BrClNO4S
Molecular Weight:
300.5143
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Product Description
Catalog Number:
AG019VIK
Chemical Name:
3-bromo-4-nitrobenzene-1-sulfonyl chloride
CAS Number:
1181458-26-3
Molecular Formula:
C6H3BrClNO4S
Molecular Weight:
300.5143
MDL Number:
MFCD12197192
IUPAC Name:
3-bromo-4-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C6H3BrClNO4S/c7-5-3-4(14(8,12)13)1-2-6(5)9(10)11/h1-3H
InChI Key:
PVMIFAHAVZOCIJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1Br)S(=O)(=O)Cl
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.865g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.507g/mol
Monoisotopic Mass:
298.865g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties