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2'-nitro-[1,1'-biphenyl]-3,4',5-tricarboxylic acid

2'-nitro-[1,1'-biphenyl]-3,4',5-tricarboxylic acid

Formula: C15H9NO8

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

IUPAC: 2'-nitro-[1,1'-biphenyl]-3,4',5-tricarboxylic acid

InChI: InChI=1S/C15H9NO8/c17-13(18)7-1-2-11(12(6-7)16(23)24)8-3-9(14(19)20)5-10(4-8)15(21)22/h1-6H,(H,17,18)(H,19,20)(H,21,22)

Composition: C (54.39%), H (2.74%), N (4.23%), O (38.64%)

Molar Mass: 331.236

Atom Count: 33

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 331.032816254
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 3
InChIKey DIDDCBKDIQCMSW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.28
Topological Polar Surface Area 155.04
Polarizability 30.29
Ring Count 2
Rotatable Bond Count 5

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