Chemical ID: 4116455

CCOC(=O)c1ccccc1F
Chemical ID:
4116455
Name [?]:
ethyl 2-fluorobenzoate
SMILES [?]:
CCOC(=O)c1ccccc1F
InChi [?]:
InChI=1/C9H9FO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,9,7,10,6,11,4,12,5,3/rA:12nCCOCOCCCCCCF/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9FO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.67015
Area:327.689
Solvation:-2.52208
Coulombic:-23.9435
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:168.165
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.54
LogP (Chemaxon):2.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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