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4-nitrobenzene-1,3-dicarboxylic acid

4-nitrobenzene-1,3-dicarboxylic acid

CAS: 4315-09-7

Formula: C8H5NO6

SMILES: OC(=O)C1=CC=C(C(=C1)C(O)=O)N(=O)=O

IUPAC: 4-nitrobenzene-1,3-dicarboxylic acid

InChI: InChI=1S/C8H5NO6/c10-7(11)4-1-2-6(9(14)15)5(3-4)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 OCJFXVHDIVAONP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.9
Topological Polar Surface Area 120.42
Polarizability 17.17
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 4315-09-7 $14.95-$514.05$14.95$48.30$75.90$135.70$514.05
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98% <7 Days 4315-09-7 $7.25-$434.70$7.25$13.46$40.37$73.49$120.06$434.70
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