Chemical ID: 7225759

c1ccc(c(c1)C(=O)[O-])N(=O)=O
Chemical ID:
7225759
Name [?]:
2-nitrobenzoate
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)/p-1
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:12nCCCCCCCOO-NOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;d10;d10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4NO4-
All Atoms:16
Heavy Atoms:12
Chiral Atoms:None
ZAP Information [?]
Total:-44.4302
Area:307.803
Solvation:-52.1252
Coulombic:-7.84144
Bond Count [?]
All:12
Single:6
Double:6
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.05
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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