Home Sulfos 5-methoxy-2-methylbenzene-1-sulfonyl chloride

5-methoxy-2-methylbenzene-1-sulfonyl chloride

CAS No.:
861374-10-9
Catalog Number:
AG01BG4S
Molecular Formula:
C8H9ClO3S
Molecular Weight:
220.6733
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Product Description
Catalog Number:
AG01BG4S
Chemical Name:
5-methoxy-2-methylbenzene-1-sulfonyl chloride
CAS Number:
861374-10-9
Molecular Formula:
C8H9ClO3S
Molecular Weight:
220.6733
MDL Number:
MFCD09880307
IUPAC Name:
5-methoxy-2-methylbenzenesulfonyl chloride
InChI:
InChI=1S/C8H9ClO3S/c1-6-3-4-7(12-2)5-8(6)13(9,10)11/h3-5H,1-2H3
InChI Key:
DTGBTMFXIKYZFP-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)S(=O)(=O)Cl)C
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.996g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.667g/mol
Monoisotopic Mass:
219.996g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties