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Chemical ID: 7089256
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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