Chemical ID: 7245168

c1cc(ccc1CC(=O)O)OC(F)F
Chemical ID:
7245168
Name [?]:
2-[4-(difluoromethoxy)phenyl]acetic acid
SMILES [?]:
c1cc(ccc1CC(=O)O)OC(F)F
InChi [?]:
InChI=1/C9H8F2O3/c10-9(11)14-7-3-1-6(2-4-7)5-8(12)13/h1-4,9H,5H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,6,3,8,12,13,14,9,10,11/E:(1,2)(3,4)(10,11)(12,13)/rA:14nCCCCCCCCOOOCFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s3;s11;s12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8F2O3
All Atoms:22
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.79089
Area:342.911
Solvation:-3.78188
Coulombic:-45.6508
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:202.155
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.08
LogP (Chemaxon):2.28

Name Annotations

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Descriptor Annotations

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