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75745-61-8 | 2-Furancarbonitrile,5-[(4-chlorophenyl)sulfonyl]-
CAS No: 75745-61-8 Catalog No: AG005IQL MDL No:
Product Description
Catalog Number:
AG005IQL
Chemical Name:
2-Furancarbonitrile,5-[(4-chlorophenyl)sulfonyl]-
CAS Number:
75745-61-8
Molecular Formula:
C11H6ClNO3S
Molecular Weight:
267.6882
IUPAC Name:
5-(4-chlorophenyl)sulfonylfuran-2-carbonitrile
InChI:
InChI=1S/C11H6ClNO3S/c12-8-1-4-10(5-2-8)17(14,15)11-6-3-9(7-13)16-11/h1-6H
InChI Key:
OUDYWPWCRBPOMZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(o1)S(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.976g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.683g/mol
Monoisotopic Mass:
266.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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