Chemical ID: 6912471

c1ccc(cc1)COP(=O)([O-])OCc2ccccc2
Chemical ID:
6912471
Name [?]:
dibenzyloxy-oxido-oxo-phosphorane
SMILES [?]:
c1ccc(cc1)COP(=O)([O-])OCc2ccccc2
InChi [?]:
InChI=1/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,17,2,6,16,18,3,5,15,19,7,13,4,14,10,11,8,12,9/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)/rA:19nCCCCCCCOPOO-OCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s9;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14O4P-
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-28.1575
Area:480.635
Solvation:-40.1733
Coulombic:-17.9359
Bond Count [?]
All:20
Single:13
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:277.232
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.21
LogP (Chemaxon):2.75

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue