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Chemical ID: 7154941
Chemical ID:
7154941
Name [?]:
2-[(2-chlorophenyl)methoxy]-3-methoxy-benzoic acid
SMILES [?]:
COc1cccc(c1OCc2ccccc2Cl)C(=O)O
InChi [?]:
InChI=1/C15H13ClO4/c1-19-13-8-4-6-11(15(17)18)14(13)20-9-10-5-2-3-7-12(10)16/h2-8H,9H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,13,14,5,12,6,15,4,10,11,7,16,3,8,18,17,19,20,2,9/E:(17,18)/rA:20nCOCCCCCCOCCCCCCCClCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s7;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClO4 |
All Atoms: | 33 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.44382 |
Area: | 470.151 |
Solvation: | -4.30995 |
Coulombic: | -44.2822 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 292.714 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.53 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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