4-nitrobenzene-1,2-dicarboxylic acid

4-nitrobenzene-1,2-dicarboxylic acid

CAS: 610-27-5

Formula: C8H5NO6

SMILES: OC(=O)C1=CC=C(C=C1C(O)=O)[N+]([O-])=O

IUPAC: 4-nitrobenzene-1,2-dicarboxylic acid

InChI: InChI=1S/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)

Composition: C (45.51%), H (2.39%), N (6.63%), O (45.47%)

Molar Mass: 211.129

Atom Count: 20

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	211.011686885
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	SLBQXWXKPNIVSQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.89
Topological Polar Surface Area	117.74
Polarizability	17.17
Ring Count	1
Rotatable Bond Count	3

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