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147749-98-2 | Benzonitrile, 4-[3-[[(4-methylphenyl)sulfonyl]oxy]propoxy]-
CAS No: 147749-98-2 Catalog No: AG001F56 MDL No:
Product Description
Catalog Number:
AG001F56
Chemical Name:
Benzonitrile, 4-[3-[[(4-methylphenyl)sulfonyl]oxy]propoxy]-
CAS Number:
147749-98-2
Molecular Formula:
C17H17NO4S
Molecular Weight:
331.3862
IUPAC Name:
3-(4-cyanophenoxy)propyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C17H17NO4S/c1-14-3-9-17(10-4-14)23(19,20)22-12-2-11-21-16-7-5-15(13-18)6-8-16/h3-10H,2,11-12H2,1H3
InChI Key:
OGRCXLZRDYYIMZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OCCCOS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.088g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.386g/mol
Monoisotopic Mass:
331.088g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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