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Chemical ID: 6627198
Chemical ID:
6627198
Name [?]:
5-chloro-2-[(2-chlorophenyl)methoxy]benzoic acid
SMILES [?]:
c1ccc(c(c1)COc2ccc(cc2C(=O)O)Cl)Cl
InChi [?]:
InChI=1/C14H10Cl2O3/c15-10-5-6-13(11(7-10)14(17)18)19-8-9-3-1-2-4-12(9)16/h1-7H,8H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,10,13,7,5,12,14,4,9,15,18,19,16,17,8/E:(17,18)/rA:19nCCCCCCCOCCCCCCCOOClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s12;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.92096 |
Area: | 473.281 |
Solvation: | -2.91106 |
Coulombic: | -37.1069 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 297.133 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.51 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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