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Chemical ID: 3969882
Chemical ID:
3969882
Name [?]:
4-bis(3,4-dimethylphenoxy)phosphoryloxy-1,2-dimethyl-benzene
SMILES [?]:
Cc1ccc(cc1C)OP(=O)(Oc2ccc(c(c2)C)C)Oc3ccc(c(c3)C)C
InChi [?]:
InChI=1/C24H27O4P/c1-16-7-10-22(13-19(16)4)26-29(25,27-23-11-8-17(2)20(5)14-23)28-24-12-9-18(3)21(6)15-24/h7-15H,1-6H3
InChi Info:
AuxInfo=1/0/N:1,20,29,8,19,28,3,15,24,4,14,23,6,18,27,2,16,25,7,17,26,5,13,22,11,9,12,21,10/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12)(13,14,15)(16,17,18)(19,20,21)(22,23,24)(26,27,28)/rA:29nCCCCCCCCOPOOCCCCCCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s16;s10;s21;s22;d23;s24;d25;d22s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27O4P |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6748 |
Area: | 584.893 |
Solvation: | -1.94756 |
Coulombic: | -42.0849 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 410.443 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 7.68 |
LogP (Chemaxon): | 7.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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