Chemical ID: 7115188

c1cc(ccc1c2ccc(c(c2)Cl)O)C(=O)O
Chemical ID:
7115188
Name [?]:
4-(3-chloro-4-hydroxy-phenyl)benzoic acid
SMILES [?]:
c1cc(ccc1c2ccc(c(c2)Cl)O)C(=O)O
InChi [?]:
InChI=1/C13H9ClO3/c14-11-7-10(5-6-12(11)15)8-1-3-9(4-2-8)13(16)17/h1-7,15H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,9,12,6,3,7,11,10,15,13,14,16,17/E:(1,2)(3,4)(16,17)/rA:17nCCCCCCCCCCCCClOCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;d7s11;s11;s10;s3;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9ClO3
All Atoms:26
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.9808
Area:426.438
Solvation:-2.68014
Coulombic:-45.7929
Bond Count [?]
All:18
Single:11
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:248.661
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.79
LogP (Chemaxon):3.48

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