Chemical ID: 5252036

CCOC(=O)c1c(cccc1Cl)C(=O)O
Chemical ID:
5252036
Name [?]:
3-chloro-2-ethoxycarbonyl-benzoic acid
SMILES [?]:
CCOC(=O)c1c(cccc1Cl)C(=O)O
InChi [?]:
InChI=1/C10H9ClO4/c1-2-15-10(14)8-6(9(12)13)4-3-5-7(8)11/h3-5H,2H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,9,8,10,7,11,6,13,4,12,14,15,5,3/E:(12,13)/rA:15nCCOCOCCCCCCClCOO/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s7;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9ClO4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.03912
Area:388.312
Solvation:-2.66868
Coulombic:-46.7595
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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