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127218-04-6 | Phosphonic acid, P-([1,1'-biphenyl]-2-ylmethyl)-, diethyl ester
CAS No: 127218-04-6 Catalog No: AG000WRF MDL No:
Product Description
Catalog Number:
AG000WRF
Chemical Name:
Phosphonic acid, P-([1,1'-biphenyl]-2-ylmethyl)-, diethyl ester
CAS Number:
127218-04-6
Molecular Formula:
C17H21O3P
Molecular Weight:
304.3206
IUPAC Name:
1-(diethoxyphosphorylmethyl)-2-phenylbenzene
InChI:
InChI=1S/C17H21O3P/c1-3-19-21(18,20-4-2)14-16-12-8-9-13-17(16)15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3
InChI Key:
MNRIYVANSCJUHM-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1ccccc1c1ccccc1)OCC
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.123g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.326g/mol
Monoisotopic Mass:
304.123g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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