Chemical ID: 4120066

c1cc(ccc1C(=O)O)I
Chemical ID:
4120066
Name [?]:
4-iodobenzoic acid
SMILES [?]:
c1cc(ccc1C(=O)O)I
InChi [?]:
InChI=1/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,3,7,10,8,9/E:(1,2)(3,4)(9,10)/rA:10nCCCCCCCOOI/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5IO2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.69335
Area:319.819
Solvation:-1.30214
Coulombic:-28.7584
Bond Count [?]
All:10
Single:6
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:248.018
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.71
LogP (Chemaxon):2.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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