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Home > Indoles and Oxindole > 88407-18-5
88407-18-5 | 1H-Isoindole-1,3(2H)-dione, 2-[[4-(phenylmethoxy)phenyl]thio]-
CAS No: 88407-18-5 Catalog No: AG004I01 MDL No:
Product Description
Catalog Number:
AG004I01
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[[4-(phenylmethoxy)phenyl]thio]-
CAS Number:
88407-18-5
Molecular Formula:
C21H15NO3S
Molecular Weight:
361.4137
IUPAC Name:
2-(4-phenylmethoxyphenyl)sulfanylisoindole-1,3-dione
InChI:
InChI=1S/C21H15NO3S/c23-20-18-8-4-5-9-19(18)21(24)22(20)26-17-12-10-16(11-13-17)25-14-15-6-2-1-3-7-15/h1-13H,14H2
InChI Key:
SIWYWHCUGFXLGD-UHFFFAOYSA-N
SMILES:
O=C1N(Sc2ccc(cc2)OCc2ccccc2)C(=O)c2c1cccc2
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.077g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.415g/mol
Monoisotopic Mass:
361.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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