Home Sulfos 1-bromo-2-methanesulfonyl-4-nitrobenzene

1-bromo-2-methanesulfonyl-4-nitrobenzene

CAS No.:
1048916-38-6
Catalog Number:
AG00HAFI
Molecular Formula:
C7H6BrNO4S
Molecular Weight:
280.0958
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Product Description
Catalog Number:
AG00HAFI
Chemical Name:
1-bromo-2-methanesulfonyl-4-nitrobenzene
CAS Number:
1048916-38-6
Molecular Formula:
C7H6BrNO4S
Molecular Weight:
280.0958
MDL Number:
MFCD11052985
IUPAC Name:
1-bromo-2-methylsulfonyl-4-nitrobenzene
InChI:
InChI=1S/C7H6BrNO4S/c1-14(12,13)7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3
InChI Key:
MPRWEWCOYBUVNP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)C)Br
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.92g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.092g/mol
Monoisotopic Mass:
278.92g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties