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3,5-dinitro-1,1'-biphenyl

3,5-dinitro-1,1'-biphenyl

CAS: 56813-80-0

Formula: C12H8N2O4

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

IUPAC: 3,5-dinitro-1,1'-biphenyl

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

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 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey CMZJLRGGVLHBMW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.84
Topological Polar Surface Area 86.28
Polarizability 24.99
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 56813-80-0 $55.48-$201.76$55.48$80.70$201.76
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