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117320-29-3 | Benzene, 1-(ethoxy-d5)-2-(phenylmethoxy)- (9CI)
CAS No: 117320-29-3 Catalog No: AG000E4C MDL No:
Product Description
Catalog Number:
AG000E4C
Chemical Name:
Benzene, 1-(ethoxy-d5)-2-(phenylmethoxy)- (9CI)
CAS Number:
117320-29-3
Molecular Formula:
C15H11D5O2
Molecular Weight:
233.3171
IUPAC Name:
1-(1,1,2,2,2-pentadeuterioethoxy)-2-phenylmethoxybenzene
InChI:
InChI=1S/C15H16O2/c1-2-16-14-10-6-7-11-15(14)17-12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3/i1D3,2D2
InChI Key:
UODPBTDHZVQWMK-ZBJDZAJPSA-N
SMILES:
C([2H])(C([2H])([2H])[2H])(Oc1ccccc1OCc1ccccc1)[2H]
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.146g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
5
Molecular Weight:
233.322g/mol
Monoisotopic Mass:
233.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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