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3-fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-amine hydrochloride

3-fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-amine hydrochloride

CAS: 1185296-84-7

Formula: C13H10ClF4N

SMILES: Cl.NC1=C(F)C=C(C=C1)C1=CC(=CC=C1)C(F)(F)F

IUPAC: 3-fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-amine hydrochloride

InChI: InChI=1S/C13H9F4N.ClH/c14-11-7-9(4-5-12(11)18)8-2-1-3-10(6-8)13(15,16)17;/h1-7H,18H2;1H

Composition: C (53.53%), H (3.46%), Cl (12.15%), F (26.05%), N (4.80%)

Molar Mass: 291.67

Atom Count: 29

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 291.0437897
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey GXCDSEIFVBGMBK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.08
Topological Polar Surface Area 26.02
Polarizability 23.08
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1185296-84-7 $219.25$219.25
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