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Chemical ID: 4253624
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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