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Chemical ID: 7468291

Chemical ID:

7468291

Name [?]:

(4-formylphenyl) 2-(2,4-dichlorophenoxy)acetate

SMILES [?]:

c1cc(ccc1C=O)OC(=O)COc2ccc(cc2Cl)Cl

InChi [?]:

InChI=1/C15H10Cl2O4/c16-11-3-6-14(13(17)7-11)20-9-15(19)21-12-4-1-10(8-18)2-5-12/h1-8H,9H2

InChi Info:

AuxInfo=1/0/N:1,5,16,2,4,15,18,7,12,6,17,3,19,14,10,21,20,8,11,13,9/E:(1,2)(4,5)/rA:21nCCCCCCCOOCOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s3;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₀Cl₂O₄
All Atoms:	31
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.0546
Area:	529.355
Solvation:	-5.17926
Coulombic:	-34.1281

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	325.143
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.88
LogP (Chemaxon):	3.76

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value