Chemical ID: 7088141

c1cc(c(cc1C(=O)CCC(=O)O)Cl)F
Chemical ID:
7088141
Name [?]:
4-(3-chloro-4-fluoro-phenyl)-4-oxo-butanoic acid
SMILES [?]:
c1cc(c(cc1C(=O)CCC(=O)O)Cl)F
InChi [?]:
InChI=1/C10H8ClFO3/c11-7-5-6(1-2-8(7)12)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,9,10,5,6,4,3,7,11,14,15,8,12,13/E:(14,15)/rA:15nCCCCCCCOCCCOOClF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s4;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8ClFO3
All Atoms:23
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.33215
Area:400.569
Solvation:-3.68208
Coulombic:-36.7696
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:230.62
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.02
LogP (Chemaxon):1.8

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Descriptor Annotations

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