Chemical ID: 4253624

c1ccc(c(c1)c2ccc(cc2)F)C(=O)O
Chemical ID:
4253624
Name [?]:
2-(4-fluorophenyl)benzoic acid
SMILES [?]:
c1ccc(c(c1)c2ccc(cc2)F)C(=O)O
InChi [?]:
InChI=1/C13H9FO2/c14-10-7-5-9(6-8-10)11-3-1-2-4-12(11)13(15)16/h1-8H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,12,9,11,7,10,5,4,14,13,15,16/E:(5,6)(7,8)(15,16)/rA:16nCCCCCCCCCCCCFCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s10;s4;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9FO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.68043
Area:365.277
Solvation:-2.45148
Coulombic:-33.5728
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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