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Chemical ID: 6884240

Cc1ccc(cc1C)OCC(=O)Oc2ccc3c(c2)occ(c3=O)Oc4ccccc4Cl

Chemical ID:

6884240

Name [?]:

[3-(2-chlorophenoxy)-4-oxo-chromen-7-yl] 2-(3,4-dimethylphenoxy)acetate

SMILES [?]:

Cc1ccc(cc1C)OCC(=O)Oc2ccc3c(c2)occ(c3=O)Oc4ccccc4Cl

InChi [?]:

InChI=1/C25H19ClO6/c1-15-7-8-17(11-16(15)2)29-14-24(27)31-18-9-10-19-22(12-18)30-13-23(25(19)28)32-21-6-4-3-5-20(21)26/h3-13H,14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,8,29,28,30,27,3,4,15,16,6,19,21,10,2,7,5,14,17,31,26,18,22,11,23,32,12,24,9,20,13,25/rA:32nCCCCCCCCOCCOOCCCCCCOCCCOOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;d21;s17s22;d23;s22;s25;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₉ClO₆
All Atoms:	51
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4154
Area:	679.506
Solvation:	-5.57222
Coulombic:	-52.0446

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	450.867
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.9
LogP (Chemaxon):	6.05

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value