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Chemical ID: 7245168
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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Experimental Annotations
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Descriptor Annotations
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