Home Sulfos 3-(chlorosulfonyl)-4,5-dimethylbenzoyl chloride

3-(chlorosulfonyl)-4,5-dimethylbenzoyl chloride

CAS No.:
1603443-25-9
Catalog Number:
AG01C2BP
Molecular Formula:
C9H8Cl2O3S
Molecular Weight:
267.1290
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Product Description
Catalog Number:
AG01C2BP
Chemical Name:
3-(chlorosulfonyl)-4,5-dimethylbenzoyl chloride
CAS Number:
1603443-25-9
Molecular Formula:
C9H8Cl2O3S
Molecular Weight:
267.1290
MDL Number:
MFCD29054944
IUPAC Name:
3-chlorosulfonyl-4,5-dimethylbenzoyl chloride
InChI:
InChI=1S/C9H8Cl2O3S/c1-5-3-7(9(10)12)4-8(6(5)2)15(11,13)14/h3-4H,1-2H3
InChI Key:
NLIPMLBJYCPCNV-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cc(C)c(c(c1)S(=O)(=O)Cl)C
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.957g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.12g/mol
Monoisotopic Mass:
265.957g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties