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Chemical ID: 4902082
Chemical ID:
4902082
Name [?]:
[2-[(4-fluorophenyl)methylene]-3-oxo-benzofuran-6-yl] cyclopropanecarboxylate
SMILES [?]:
c1cc(ccc1C=C2C(=O)c3ccc(cc3O2)OC(=O)C4CC4)F
InChi [?]:
InChI=1/C19H13FO4/c20-13-5-1-11(2-6-13)9-17-18(21)15-8-7-14(10-16(15)24-17)23-19(22)12-3-4-12/h1-2,5-10,12H,3-4H2
InChi Info:
AuxInfo=1/0/N:1,5,22,23,2,4,13,12,7,15,6,21,3,14,11,16,8,9,19,24,10,20,18,17/E:(1,2)(3,4)(5,6)/rA:24nCCCCCCCCCOCCCCCCOOCOCCCF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;s14;s18;d19;s19;s21;s21s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H13FO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25437 |
Area: | 515.092 |
Solvation: | -3.62293 |
Coulombic: | -39.8707 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.303 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.78 |
LogP (Chemaxon): | 3.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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