Chemical ID: 7089256

CCOC(=O)c1ccc(cc1F)Cl
Chemical ID:
7089256
Name [?]:
ethyl 4-chloro-2-fluoro-benzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1F)Cl
InChi [?]:
InChI=1/C9H8ClFO2/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,7,10,9,6,11,4,13,12,5,3/rA:13nCCOCOCCCCCCFCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s9;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8ClFO2
All Atoms:21
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.49754
Area:363.176
Solvation:-2.58186
Coulombic:-23.3773
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:202.61
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.16
LogP (Chemaxon):2.59

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Descriptor Annotations

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