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methyl 3'-nitro-[1,1'-biphenyl]-4-carboxylate

methyl 3'-nitro-[1,1'-biphenyl]-4-carboxylate

CAS: 89900-93-6

Formula: C14H11NO4

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

IUPAC: methyl 3'-nitro-[1,1'-biphenyl]-4-carboxylate

InChI: InChI=1S/C14H11NO4/c1-19-14(16)11-7-5-10(6-8-11)12-3-2-4-13(9-12)15(17)18/h2-9H,1H3

Composition: C (65.37%), H (4.31%), N (5.45%), O (24.88%)

Molar Mass: 257.245

Atom Count: 30

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 257.068807838
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PMHCOLXQSXMKJJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.54
Topological Polar Surface Area 69.44
Polarizability 27.55
Ring Count 2
Rotatable Bond Count 4

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