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Chemical ID: 6879616

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)CCCOc4ccc(cc4Cl)Cl

Chemical ID:

6879616

Name [?]:

[2-(4-methoxyphenyl)-6-methyl-4-oxo-chromen-3-yl] 4-(2,4-dichlorophenoxy)butanoate

SMILES [?]:

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)CCCOc4ccc(cc4Cl)Cl

InChi [?]:

InChI=1/C27H22Cl2O6/c1-16-5-11-22-20(14-16)25(31)27(26(34-22)17-6-9-19(32-2)10-7-17)35-24(30)4-3-13-33-23-12-8-18(28)15-21(23)29/h5-12,14-15H,3-4,13H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,25,24,3,14,18,30,15,17,4,29,26,7,32,2,13,31,16,6,33,5,28,22,8,11,10,35,34,23,9,19,27,12,21/E:(6,7)(9,10)/rA:35nCCCCCCCCOCCOCCCCCCOCOCOCCCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;d22;s22;s24;s25;s26;s27;s28;d29;s30;d31;d28s32;s33;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₂Cl₂O₆
All Atoms:	57
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8944
Area:	761.05
Solvation:	-6.13184
Coulombic:	-51.5418

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	513.365
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	7.25
LogP (Chemaxon):	6.31

Name Annotations

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

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