Chemical ID: 4260590

c1ccc(c(c1)C(=O)O)[N+](=O)[O-]
Chemical ID:
4260590
Name [?]:
2-nitrobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,10,8,9,11,12/E:(9,10)(11,12)/CRV:8.5/rA:12nCCCCCCCOON+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5NO4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-0.21942
Area:307.614
Solvation:-7.90976
Coulombic:-36.9649
Bond Count [?]
All:12
Single:7
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:167.119
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.41
LogP (Chemaxon):1.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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