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{4'-nitro-[1,1'-biphenyl]-4-yl}methanol

{4'-nitro-[1,1'-biphenyl]-4-yl}methanol

CAS: 62037-99-4

Formula: C13H11NO3

SMILES: OCC1=CC=C(C=C1)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: {4'-nitro-[1,1'-biphenyl]-4-yl}methanol

InChI: InChI=1S/C13H11NO3/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16)17/h1-8,15H,9H2

Composition: C (68.11%), H (4.84%), N (6.11%), O (20.94%)

Molar Mass: 229.235

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 229.073893218
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MDUQVWINYYIMOQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.33
Topological Polar Surface Area 63.37
Polarizability 25.59
Ring Count 2
Rotatable Bond Count 3

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