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2-(4-fluorophenyl)azepane

2-(4-fluorophenyl)azepane

CAS: 168890-44-6

Formula: C12H16FN

SMILES: FC1=CC=C(C=C1)C1CCCCCN1

IUPAC: 2-(4-fluorophenyl)azepane

InChI: InChI=1/C12H16FN/c13-11-7-5-10(6-8-11)12-4-2-1-3-9-14-12/h5-8,12,14H,1-4,9H2

Composition: C (74.58%), H (8.35%), F (9.83%), N (7.25%)

Molar Mass: 193.265

Atom Count: 30

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 193.126677682
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey KYRNAJNHLFLGFP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.94
Topological Polar Surface Area 12.03
Polarizability 21.82
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 168890-44-6 $219.25$219.25
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