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Chemical ID: 5134832
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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Experimental Annotations
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Descriptor Annotations
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