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Chemical ID: 6619523
Chemical ID:
6619523
Name [?]:
4-fluoro-2-(1H-pyrazol-3-yl)phenol
SMILES [?]:
c1cc(c(cc1F)c2cc[nH]n2)O
InChi [?]:
InChI=1/C9H7FN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,9,10,5,6,4,8,3,7,11,12,13/rA:13nCCCCCCFCCCNNO/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s10;d8s11;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H7FN2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.29331 |
Area: | 321.669 |
Solvation: | -3.74841 |
Coulombic: | -27.849 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 178.163 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.41 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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