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N-{3-[(2,4-difluorophenyl)amino]prop-2-en-1-ylidene}-2,4-difluoroanilinium chloride

N-{3-[(2,4-difluorophenyl)amino]prop-2-en-1-ylidene}-2,4-difluoroanilinium chloride

CAS: 1274948-02-5

Formula: C15H11ClF4N2

SMILES: [Cl-].FC1=CC(F)=C(NC=CC=[NH+]C2=C(F)C=C(F)C=C2)C=C1

IUPAC: N-{3-[(2,4-difluorophenyl)amino]prop-2-en-1-ylidene}-2,4-difluoroanilinium chloride

InChI: InChI=1S/C15H10F4N2.ClH/c16-10-2-4-14(12(18)8-10)20-6-1-7-21-15-5-3-11(17)9-13(15)19;/h1-9,20H;1H

Composition: C (54.48%), H (3.35%), Cl (10.72%), F (22.98%), N (8.47%)

Molar Mass: 330.71

Atom Count: 33

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 330.0546887
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey JERNZQYCIILMBY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.15
Topological Polar Surface Area 26
Polarizability 26.14
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 1274948-02-5 $51.35-$86.31$51.35$63.37$86.31
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