Chemical ID: 6131895

c1cc(cc(c1)F)c2ccc(cc2)C(=O)O
Chemical ID:
6131895
Name [?]:
4-(3-fluorophenyl)benzoic acid
SMILES [?]:
c1cc(cc(c1)F)c2ccc(cc2)C(=O)O
InChi [?]:
InChI=1/C13H9FO2/c14-12-3-1-2-11(8-12)9-4-6-10(7-5-9)13(15)16/h1-8H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,9,13,10,12,4,8,11,3,5,14,7,15,16/E:(4,5)(6,7)(15,16)/rA:16nCCCCCCFCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;d8s12;s11;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9FO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.05814
Area:384.939
Solvation:-2.56533
Coulombic:-33.5158
Bond Count [?]
All:17
Single:10
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:216.208
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.74
LogP (Chemaxon):3.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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