Chemical ID: 3964451

c1cc(c(cc1F)C(=O)O)[N+](=O)[O-]
Chemical ID:
3964451
Name [?]:
5-fluoro-2-nitro-benzoic acid
SMILES [?]:
c1cc(c(cc1F)C(=O)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C7H4FNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,3,8,7,11,9,10,12,13/E:(10,11)(12,13)/CRV:9.5/rA:13nCCCCCCFCOON+OO-/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;s3;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4FNO4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-1.38294
Area:315.154
Solvation:-9.2618
Coulombic:-37.4229
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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