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Chemical ID: 6617887
Chemical ID:
6617887
Name [?]:
propyl 4-fluorobenzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)F
InChi [?]:
InChI=1/C10H11FO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,12,9,11,3,7,10,5,13,6,4/E:(3,4)(5,6)/rA:13nCCCOCOCCCCCCF/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11FO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.76659 |
Area: | 358.378 |
Solvation: | -2.19285 |
Coulombic: | -24.8267 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 182.192 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.9 |
LogP (Chemaxon): | 2.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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