Chemical ID: 5632969

c1cc(ccc1C(=O)c2cc(ccc2C(=O)O)C(=O)O)[N+](=O)[O-]
Chemical ID:
5632969
Name [?]:
2-(4-nitrobenzoyl)terephthalic acid
SMILES [?]:
c1cc(ccc1C(=O)c2cc(ccc2C(=O)O)C(=O)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H9NO7/c17-13(8-1-4-10(5-2-8)16(22)23)12-7-9(14(18)19)3-6-11(12)15(20)21/h1-7H,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,12,2,4,13,10,6,11,3,14,9,7,18,15,21,8,19,20,16,17,22,23/E:(1,2)(4,5)(18,19)(20,21)(22,23)/CRV:16.5/rA:23nCCCCCCCOCCCCCCCOOCOON+OO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;d15;s15;s11;d18;s18;s3;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9NO7
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:2.9582
Area:495.865
Solvation:-9.43843
Coulombic:-74.1094
Bond Count [?]
All:24
Single:14
Double:10
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:315.234
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.58
LogP (Chemaxon):2.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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