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1261573-04-9 | Benzenesulfonyl chloride, 2-cyano-5-methoxy-
CAS No: 1261573-04-9 Catalog No: AG000RUV MDL No:
Product Description
Catalog Number:
AG000RUV
Chemical Name:
Benzenesulfonyl chloride, 2-cyano-5-methoxy-
CAS Number:
1261573-04-9
Molecular Formula:
C8H6ClNO3S
Molecular Weight:
231.6561
IUPAC Name:
2-cyano-5-methoxybenzenesulfonyl chloride
InChI:
InChI=1S/C8H6ClNO3S/c1-13-7-3-2-6(5-10)8(4-7)14(9,11)12/h2-4H,1H3
InChI Key:
CFOVDTUMIVSQGA-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)S(=O)(=O)Cl)C#N
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
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