Chemical ID: 7089486

c1c(cc(cc1[N+](=O)[O-])F)C(=O)O
Chemical ID:
7089486
Name [?]:
3-fluoro-5-nitro-benzoic acid
SMILES [?]:
c1c(cc(cc1[N+](=O)[O-])F)C(=O)O
InChi [?]:
InChI=1/C7H4FNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:3,1,5,2,4,6,11,10,7,12,13,8,9/E:(10,11)(12,13)/CRV:9.5/rA:13nCCCCCCN+OO-FCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s2;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4FNO4
All Atoms:17
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-0.209924
Area:330.328
Solvation:-8.46811
Coulombic:-38.8252
Bond Count [?]
All:13
Single:8
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:185.109
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.57
LogP (Chemaxon):1.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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