Chemical ID: 4115063

Cc1ccc(cc1Cl)C(=O)O
Chemical ID:
4115063
Name [?]:
3-chloro-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1Cl)C(=O)O
InChi [?]:
InChI=1/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,2,5,7,9,8,10,11/E:(10,11)/rA:11nCCCCCCCClCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7ClO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.74298
Area:323.427
Solvation:-1.3427
Coulombic:-28.8983
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:2.49
LogP (Chemaxon):2.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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