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17414-04-9

17414-04-9 | Benzene, [(2-phenoxyethyl)thio]-

CAS No: 17414-04-9 Catalog No: AG001ZHD MDL No:

Product Description

Catalog Number:
AG001ZHD
Chemical Name:
Benzene, [(2-phenoxyethyl)thio]-
CAS Number:
17414-04-9
Molecular Formula:
C14H14OS
Molecular Weight:
230.3254
IUPAC Name:
2-phenoxyethylsulfanylbenzene
InChI:
InChI=1S/C14H14OS/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key:
WWTXSTFCTRSPJA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)OCCSc1ccccc1
NSC Number:
115092

Properties

Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.077g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.325g/mol
Monoisotopic Mass:
230.077g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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