Chemical ID: 7089391

CC(=O)C(C(=O)c1ccc(cc1)F)C(=O)OC
Chemical ID:
7089391
Name [?]:
methyl 2-(4-fluorobenzoyl)-3-oxo-butanoate
SMILES [?]:
CC(=O)C(C(=O)c1ccc(cc1)F)C(=O)OC
InChi [?]:
InChI=1/C12H11FO4/c1-7(14)10(12(16)17-2)11(15)8-3-5-9(13)6-4-8/h3-6,10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,8,12,9,11,2,7,10,4,5,14,13,3,6,15,16/E:(3,4)(5,6)/rA:17cCCOCCOCCCCCCFCOOC/rB:s1;d2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s4;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11FO4
All Atoms:28
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:3.71484
Area:401.45
Solvation:-6.3214
Coulombic:-32.9564
Bond Count [?]
All:17
Single:11
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:238.212
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.89
LogP (Chemaxon):1.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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