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Chemical ID: 5711622
Chemical ID:
5711622
Name [?]:
(7-methoxy-2-oxo-chromen-4-yl)methyl 2-(2-fluorophenyl)acetate
SMILES [?]:
COc1ccc2c(cc(=O)oc2c1)COC(=O)Cc3ccccc3F
InChi [?]:
InChI=1/C19H15FO5/c1-23-14-6-7-15-13(9-19(22)25-17(15)10-14)11-24-18(21)8-12-4-2-3-5-16(12)20/h2-7,9-10H,8,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,22,20,23,4,5,18,8,13,14,19,7,3,6,24,12,16,9,25,17,10,2,15,11/rA:25nCOCCCCCCCOOCCCOCOCCCCCCCF/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s9;d6s11;d3s12;s7;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15FO5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.12922 |
Area: | 544.474 |
Solvation: | -5.48265 |
Coulombic: | -47.9501 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 342.318 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.23 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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