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119744-42-2 | Benzonitrile, 4-[2-[(methylsulfonyl)oxy]ethyl]-
CAS No: 119744-42-2 Catalog No: AG000PM0 MDL No:
Product Description
Catalog Number:
AG000PM0
Chemical Name:
Benzonitrile, 4-[2-[(methylsulfonyl)oxy]ethyl]-
CAS Number:
119744-42-2
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
IUPAC Name:
2-(4-cyanophenyl)ethyl methanesulfonate
InChI:
InChI=1S/C10H11NO3S/c1-15(12,13)14-7-6-9-2-4-10(8-11)5-3-9/h2-5H,6-7H2,1H3
InChI Key:
QQZUTVCAQZLTTH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CCOS(=O)(=O)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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