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

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

CAS No.:
1803604-85-4
Catalog Number:
AG01AFNF
Molecular Formula:
C7H5BrClNO4S
Molecular Weight:
314.5409
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Product Description
Catalog Number:
AG01AFNF
Chemical Name:
4-bromo-2-methyl-5-nitrobenzene-1-sulfonyl chloride
CAS Number:
1803604-85-4
Molecular Formula:
C7H5BrClNO4S
Molecular Weight:
314.5409
MDL Number:
MFCD27500932
IUPAC Name:
4-bromo-2-methyl-5-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C7H5BrClNO4S/c1-4-2-5(8)6(10(11)12)3-7(4)15(9,13)14/h2-3H,1H3
InChI Key:
IEBCZZRSOZMANI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(c(cc1Br)C)S(=O)(=O)Cl
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.881g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.534g/mol
Monoisotopic Mass:
312.881g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties