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15570-18-0 | Benzoic acid, 2-mercapto-, phenyl ester
CAS No: 15570-18-0 Catalog No: AG001O4X MDL No:
Product Description
Catalog Number:
AG001O4X
Chemical Name:
Benzoic acid, 2-mercapto-, phenyl ester
CAS Number:
15570-18-0
Molecular Formula:
C13H10O2S
Molecular Weight:
230.2823
IUPAC Name:
phenyl 2-sulfanylbenzoate
InChI:
InChI=1S/C13H10O2S/c14-13(11-8-4-5-9-12(11)16)15-10-6-2-1-3-7-10/h1-9,16H
InChI Key:
VPYKTMHVSTXCMB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1S)Oc1ccccc1
EC Number:
239-618-2
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.281g/mol
Monoisotopic Mass:
230.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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