Chemical ID: 6619523

c1cc(c(cc1F)c2cc[nH]n2)O
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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