Chemical ID: 5038122

CCOC(=O)c1cccc(c1C(=O)O)Cl
Chemical ID:
5038122
Name [?]:
2-chloro-6-ethoxycarbonyl-benzoic acid
SMILES [?]:
CCOC(=O)c1cccc(c1C(=O)O)Cl
InChi [?]:
InChI=1/C10H9ClO4/c1-2-15-10(14)6-4-3-5-7(11)8(6)9(12)13/h3-5H,2H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,9,6,10,11,12,4,15,13,14,5,3/E:(12,13)/rA:15nCCOCOCCCCCCCOOCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;d12;s12;s10;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9ClO4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.23013
Area:390.958
Solvation:-2.54382
Coulombic:-46.8839
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:228.629
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.62
LogP (Chemaxon):1.97

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