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Chemical ID: 4118427
Chemical ID:
4118427
Name [?]:
2-phenyl-5-(trifluoromethyl)oxazole-4-carboxylic acid
SMILES [?]:
c1ccc(cc1)c2nc(c(o2)C(F)(F)F)C(=O)O
InChi [?]:
InChI=1/C11H6F3NO3/c12-11(13,14)8-7(10(16)17)15-9(18-8)6-4-2-1-3-5-6/h1-5H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,9,10,7,16,12,13,14,15,8,17,18,11/E:(2,3)(4,5)(12,13,14)(16,17)/rA:18nCCCCCCCNCCOCFFFCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;s12;s12;s9;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H6F3NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.18733 |
Area: | 394.452 |
Solvation: | -2.67396 |
Coulombic: | -61.631 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 257.165 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.68 |
LogP (Chemaxon): | 2.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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