Chemical ID: 6046520

COC(=O)c1cccc(c1)F
Chemical ID:
6046520
Name [?]:
methyl 3-fluorobenzoate
SMILES [?]:
COC(=O)c1cccc(c1)F
InChi [?]:
InChI=1/C8H7FO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,10,5,9,3,11,4,2/rA:11nCOCOCCCCCCF/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7FO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.3269
Area:303.859
Solvation:-2.26957
Coulombic:-23.9316
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:154.138
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.12
LogP (Chemaxon):1.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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