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4-nitronaphthalene-1-carboxylic acid

4-nitronaphthalene-1-carboxylic acid

CAS: 1975-43-5

Formula: C11H7NO4

SMILES: OC(=O)C1=C2C=CC=CC2=C(C=C1)[N+]([O-])=O

IUPAC: 4-nitronaphthalene-1-carboxylic acid

InChI: InChI=1S/C11H7NO4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6H,(H,13,14)

Composition: C (60.83%), H (3.25%), N (6.45%), O (29.47%)

Molar Mass: 217.18

Atom Count: 23

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 217.037507709
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey BQBFFSOHVNNCSP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.08
Topological Polar Surface Area 80.44
Polarizability 22.04
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1975-43-5 $120.62-$328.19$120.62$161.76$328.19
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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1975-43-5 $204.30-$789.88$204.30$204.30$317.92$317.92$789.88$789.88
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