Chemical ID: 6422981

c1cc(c(cc1OCCC(=O)O)Cl)Cl
Chemical ID:
6422981
Name [?]:
3-(3,4-dichlorophenoxy)propanoic acid
SMILES [?]:
c1cc(c(cc1OCCC(=O)O)Cl)Cl
InChi [?]:
InChI=1/C9H8Cl2O3/c10-7-2-1-6(5-8(7)11)14-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,9,8,5,6,3,4,10,14,13,11,12,7/E:(12,13)/rA:14nCCCCCCOCCCOOClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s10;s4;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8Cl2O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.53358
Area:405.293
Solvation:-2.59873
Coulombic:-34.145
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:235.063
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.72
LogP (Chemaxon):2.55

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Descriptor Annotations

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