Chemical ID: 4222680

c1ccc(cc1)C(=O)c2cc(ccc2C(=O)O)[N+](=O)[O-]
Chemical ID:
4222680
Name [?]:
2-benzoyl-4-nitro-benzoic acid
SMILES [?]:
c1ccc(cc1)C(=O)c2cc(ccc2C(=O)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H9NO5/c16-13(9-4-2-1-3-5-9)12-8-10(15(19)20)6-7-11(12)14(17)18/h1-8H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,13,10,4,11,14,9,7,15,18,8,16,17,19,20/E:(2,3)(4,5)(17,18)(19,20)/CRV:15.5/rA:20nCCCCCCCOCCCCCCCOON+OO-/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s14;d15;s15;s11;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9NO5
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:2.38283
Area:442.97
Solvation:-8.69142
Coulombic:-46.5941
Bond Count [?]
All:21
Single:12
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:271.225
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.96
LogP (Chemaxon):2.74

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