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3,3'-dinitro-5,5'-bis(trifluoromethyl)-1,1'-biphenyl

3,3'-dinitro-5,5'-bis(trifluoromethyl)-1,1'-biphenyl

CAS: 194344-28-0

Formula: C14H6F6N2O4

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

IUPAC: 3,3'-dinitro-5,5'-bis(trifluoromethyl)-1,1'-biphenyl

InChI: InChI=1S/C14H6F6N2O4/c15-13(16,17)9-1-7(3-11(5-9)21(23)24)8-2-10(14(18,19)20)6-12(4-8)22(25)26/h1-6H

Composition: C (44.23%), H (1.59%), F (29.98%), N (7.37%), O (16.83%)

Molar Mass: 380.202

Atom Count: 32

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 380.023175659
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey NHEDTONHCGHJCX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 75.78
Topological Polar Surface Area 86.28
Polarizability 27.75
Ring Count 2
Rotatable Bond Count 5

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