Chemical ID: 5134832

CCOc1ccc(c(c1)Cl)CC(=O)O
Chemical ID:
5134832
Name [?]:
2-(2-chloro-4-ethoxy-phenyl)acetic acid
SMILES [?]:
CCOc1ccc(c(c1)Cl)CC(=O)O
InChi [?]:
InChI=1/C10H11ClO3/c1-2-14-8-4-3-7(5-10(12)13)9(11)6-8/h3-4,6H,2,5H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,5,11,9,7,4,8,12,10,13,14,3/E:(12,13)/rA:14nCCOCCCCCCClCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s7;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11ClO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.42404
Area:383.298
Solvation:-3.15841
Coulombic:-33.5261
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:214.645
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.41
LogP (Chemaxon):2.29

Name Annotations

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Descriptor Annotations

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