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85403-96-9 | DIPROPAN-2-YLPHOSPHORYLOXYMETHYLBENZENE
CAS No: 85403-96-9 Catalog No: AG004TLW MDL No:
Product Description
Catalog Number:
AG004TLW
Chemical Name:
DIPROPAN-2-YLPHOSPHORYLOXYMETHYLBENZENE
CAS Number:
85403-96-9
Molecular Formula:
C13H21O2P
Molecular Weight:
240.2784
IUPAC Name:
di(propan-2-yl)phosphoryloxymethylbenzene
InChI:
InChI=1S/C13H21O2P/c1-11(2)16(14,12(3)4)15-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChI Key:
HRLOBRMHZBUNRV-UHFFFAOYSA-N
SMILES:
CC(P(=O)(C(C)C)OCc1ccccc1)C
NSC Number:
201418
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.128g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.283g/mol
Monoisotopic Mass:
240.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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