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10129-07-4 | Benzoic acid, 4-(phenylthio)-, ethyl ester
CAS No: 10129-07-4 Catalog No: AG00045H MDL No:
Product Description
Catalog Number:
AG00045H
Chemical Name:
Benzoic acid, 4-(phenylthio)-, ethyl ester
CAS Number:
10129-07-4
Molecular Formula:
C15H14O2S
Molecular Weight:
258.3355
IUPAC Name:
ethyl 4-phenylsulfanylbenzoate
InChI:
InChI=1S/C15H14O2S/c1-2-17-15(16)12-8-10-14(11-9-12)18-13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChI Key:
MWWSTEHPUCOQQV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)Sc1ccccc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.335g/mol
Monoisotopic Mass:
258.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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