Home Sulfos 4-cyano-2-methoxybenzene-1-sulfonyl chloride

4-cyano-2-methoxybenzene-1-sulfonyl chloride

CAS No.:
1261791-90-5
Catalog Number:
AG01ACGB
Molecular Formula:
C8H6ClNO3S
Molecular Weight:
231.6561
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Product Description
Catalog Number:
AG01ACGB
Chemical Name:
4-cyano-2-methoxybenzene-1-sulfonyl chloride
CAS Number:
1261791-90-5
Molecular Formula:
C8H6ClNO3S
Molecular Weight:
231.6561
MDL Number:
MFCD18394214
IUPAC Name:
4-cyano-2-methoxybenzenesulfonyl chloride
InChI:
InChI=1S/C8H6ClNO3S/c1-13-7-4-6(5-10)2-3-8(7)14(9,11)12/h2-4H,1H3
InChI Key:
SHEGIUODCWBLSZ-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)ccc1S(=O)(=O)Cl
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.976g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.65g/mol
Monoisotopic Mass:
230.976g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties