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Chemical ID: 7225759
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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