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78400-25-6 | (ethoxy-(2-ethoxyethylsulfanyl)phosphoryl)oxybenzene
CAS No: 78400-25-6 Catalog No: AG0053JX MDL No:
Product Description
Catalog Number:
AG0053JX
Chemical Name:
(ethoxy-(2-ethoxyethylsulfanyl)phosphoryl)oxybenzene
CAS Number:
78400-25-6
Molecular Formula:
C12H19O4PS
Molecular Weight:
290.3156
IUPAC Name:
[ethoxy(2-ethoxyethylsulfanyl)phosphoryl]oxybenzene
InChI:
InChI=1S/C12H19O4PS/c1-3-14-10-11-18-17(13,15-4-2)16-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChI Key:
NHDPLOAIMZGHPH-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Oc1ccccc1)SCCOCC
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.314g/mol
Monoisotopic Mass:
290.074g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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