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2-{[(2-fluorophenyl)methyl]sulfanyl}aniline hydrochloride

2-{[(2-fluorophenyl)methyl]sulfanyl}aniline hydrochloride

CAS: 1049757-19-8

Formula: C13H13ClFNS

SMILES: Cl.NC1=C(SCC2=C(F)C=CC=C2)C=CC=C1

IUPAC: 2-{[(2-fluorophenyl)methyl]sulfanyl}aniline hydrochloride

InChI: InChI=1S/C13H12FNS.ClH/c14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)15;/h1-8H,9,15H2;1H

Composition: C (57.88%), H (4.86%), Cl (13.14%), F (7.04%), N (5.19%), S (11.88%)

Molar Mass: 269.76

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 269.0441265
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey YBZFMBJCFJFLOW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.4
Topological Polar Surface Area 26.02
Polarizability 25.6
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 1049757-19-8 $58.65-$232.30$58.65$232.30
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