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5-nitro-[1,1'-biphenyl]-2-carboxylic acid

5-nitro-[1,1'-biphenyl]-2-carboxylic acid

CAS: 124391-60-2

Formula: C13H9NO4

SMILES: OC(=O)C1=CC=C(C=C1C1=CC=CC=C1)[N+]([O-])=O

IUPAC: 5-nitro-[1,1'-biphenyl]-2-carboxylic acid

InChI: InChI=1S/C13H9NO4/c15-13(16)11-7-6-10(14(17)18)8-12(11)9-4-2-1-3-5-9/h1-8H,(H,15,16)

Composition: C (64.20%), H (3.73%), N (5.76%), O (26.31%)

Molar Mass: 243.218

Atom Count: 27

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 243.053157774
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ZEBINUQQXMHHJE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.77
Topological Polar Surface Area 80.44
Polarizability 25.46
Ring Count 2
Rotatable Bond Count 3

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Purity (%)
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J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
98% <2 Days 124391-60-2 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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