Chemical ID: 7088829

CCOC(=O)CC(=O)c1ccc(cc1F)F
Chemical ID:
7088829
Name [?]:
ethyl 3-(2,4-difluorophenyl)-3-oxo-propanoate
SMILES [?]:
CCOC(=O)CC(=O)c1ccc(cc1F)F
InChi [?]:
InChI=1/C11H10F2O3/c1-2-16-11(15)6-10(14)8-4-3-7(12)5-9(8)13/h3-5H,2,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,13,6,12,9,14,7,4,16,15,8,5,3/rA:16nCCOCOCCOCCCCCCFF/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;s12;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10F2O3
All Atoms:26
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:3.30562
Area:390.641
Solvation:-6.46039
Coulombic:-28.3623
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:228.192
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.71
LogP (Chemaxon):1.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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