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Chemical ID: 3966574

Chemical ID:

3966574

Name [?]:

2-[2,3-dichloro-4-(2-methylenebutanoyl)phenoxy]acetic acid

SMILES [?]:

CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O

InChi [?]:

InChI=1/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)

InChi Info:

AuxInfo=1/1/N:1,4,2,8,9,16,3,7,10,17,12,11,5,13,14,18,19,6,15/E:(16,17)/rA:19nCCCCCOCCCCCCClClOCCOO/rB:s1;s2;d3;s3;d5;s5;s7;d8;s9;d10;d7s11;s12;s11;s10;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₂Cl₂O₄
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	7.25198
Area:	475.904
Solvation:	-4.64563
Coulombic:	-43.5743

Bond Count [?]

All:	19
Single:	13
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	303.137
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.3
LogP (Chemaxon):	3.44

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