Chemical ID: 7047791

CC(C)C(=O)Oc1ccc2c(c1)OC(=Cc3ccccc3F)C2=O
Chemical ID:
7047791
Name [?]:
[2-[(2-fluorophenyl)methylene]-3-oxo-benzofuran-6-yl] 2-methylpropanoate
SMILES [?]:
CC(C)C(=O)Oc1ccc2c(c1)OC(=Cc3ccccc3F)C2=O
InChi [?]:
InChI=1/C19H15FO4/c1-11(2)19(22)23-13-7-8-14-16(10-13)24-17(18(14)21)9-12-5-3-4-6-15(12)20/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,18,19,17,20,8,9,15,12,2,16,7,10,21,11,14,23,4,22,24,5,6,13/E:(1,2)/rA:24nCCCCOOCCCCCCOCCCCCCCCFCO/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s10s14;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15FO4
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.92402
Area:529.202
Solvation:-3.30604
Coulombic:-40.7908
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:326.318
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.12
LogP (Chemaxon):4.16

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Descriptor Annotations

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