Chemical ID: 4719844

Cc1cc(ccc1OC(C(=O)O)(F)F)Cl
Chemical ID:
4719844
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-2,2-difluoro-acetic acid
SMILES [?]:
Cc1cc(ccc1OC(C(=O)O)(F)F)Cl
InChi [?]:
InChI=1/C9H7ClF2O3/c1-5-4-6(10)2-3-7(5)15-9(11,12)8(13)14/h2-4H,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,5,6,3,2,4,7,10,9,15,13,14,11,12,8/E:(11,12)(13,14)/rA:15nCCCCCCCOCCOOFFCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s9;s9;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7ClF2O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.48794
Area:375.309
Solvation:-1.89478
Coulombic:-54.4621
Bond Count [?]
All:15
Single:11
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:236.6
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.63
LogP (Chemaxon):3.52

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