Home Sulfos 5-bromo-2-methoxy-4-methyl-3-nitrobenzene-1-sulfonyl chloride

5-bromo-2-methoxy-4-methyl-3-nitrobenzene-1-sulfonyl chloride

CAS No.:
1803570-11-7
Catalog Number:
AG01BDKI
Molecular Formula:
C8H7BrClNO5S
Molecular Weight:
344.5669
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Product Description
Catalog Number:
AG01BDKI
Chemical Name:
5-bromo-2-methoxy-4-methyl-3-nitrobenzene-1-sulfonyl chloride
CAS Number:
1803570-11-7
Molecular Formula:
C8H7BrClNO5S
Molecular Weight:
344.5669
MDL Number:
MFCD28023634
IUPAC Name:
5-bromo-2-methoxy-4-methyl-3-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C8H7BrClNO5S/c1-4-5(9)3-6(17(10,14)15)8(16-2)7(4)11(12)13/h3H,1-2H3
InChI Key:
WFJCKOGQDIFABT-UHFFFAOYSA-N
SMILES:
COc1c([N+](=O)[O-])c(C)c(cc1S(=O)(=O)Cl)Br
Properties
Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.892g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.56g/mol
Monoisotopic Mass:
342.892g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties