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75745-88-9 | 2-Furancarbonitrile,5-[(4-methylphenyl)sulfonyl]-
CAS No: 75745-88-9 Catalog No: AG005IQJ MDL No:
Product Description
Catalog Number:
AG005IQJ
Chemical Name:
2-Furancarbonitrile,5-[(4-methylphenyl)sulfonyl]-
CAS Number:
75745-88-9
Molecular Formula:
C12H9NO3S
Molecular Weight:
247.2698
IUPAC Name:
5-(4-methylphenyl)sulfonylfuran-2-carbonitrile
InChI:
InChI=1S/C12H9NO3S/c1-9-2-5-11(6-3-9)17(14,15)12-7-4-10(8-13)16-12/h2-7H,1H3
InChI Key:
MNTSMTCDKVHWBG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(o1)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.268g/mol
Monoisotopic Mass:
247.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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