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4-(5-nitropyridin-2-yl)benzoic acid

4-(5-nitropyridin-2-yl)benzoic acid

CAS: 223127-49-9

Formula: C12H8N2O4

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

IUPAC: 4-(5-nitropyridin-2-yl)benzoic acid

InChI: InChI=1S/C12H8N2O4/c15-12(16)9-3-1-8(2-4-9)11-6-5-10(7-13-11)14(17)18/h1-7H,(H,15,16)

Composition: C (59.02%), H (3.30%), N (11.47%), O (26.21%)

Molar Mass: 244.206

Atom Count: 26

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 244.048406746
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey XYMUGROHPQPRST-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.24
Topological Polar Surface Area 93.33
Polarizability 24.58
Ring Count 2
Rotatable Bond Count 3

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 223127-49-9 $51.35-$180.26$51.35$63.37$86.31$113.62$180.26
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