Chemical ID: 4115172

Cc1ccc(c(c1)C(=O)O)Cl
Chemical ID:
4115172
Name [?]:
2-chloro-5-methyl-benzoic acid
SMILES [?]:
Cc1ccc(c(c1)C(=O)O)Cl
InChi [?]:
InChI=1/C8H7ClO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,2,6,5,8,11,9,10/E:(10,11)/rA:11nCCCCCCCCOOCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7ClO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.33557
Area:315.674
Solvation:-1.55628
Coulombic:-28.5092
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:170.593
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.7
LogP (Chemaxon):2.55

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