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N-(4-chlorophenyl)-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]benzamide

N-(4-chlorophenyl)-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]benzamide

CAS: 339020-03-0

Formula: C17H13ClF3NOS

SMILES: FC(F)=C(F)CCSC1=C(C=CC=C1)C(=O)NC1=CC=C(Cl)C=C1

IUPAC: N-(4-chlorophenyl)-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]benzamide

InChI: InChI=1S/C17H13ClF3NOS/c18-11-5-7-12(8-6-11)22-17(23)13-3-1-2-4-15(13)24-10-9-14(19)16(20)21/h1-8H,9-10H2,(H,22,23)

Composition: C (54.92%), H (3.52%), Cl (9.53%), F (15.33%), N (3.77%), O (4.30%), S (8.62%)

Molar Mass: 371.8

Atom Count: 37

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 371.0358474
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey RPTGHAMFWTXPRA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.49
Topological Polar Surface Area 29.1
Polarizability 34.21
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 339020-03-0 $51.35-$86.31$51.35$63.37$86.31
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