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3-fluoro-4-(pyridin-2-ylmethoxy)aniline dihydrochloride

3-fluoro-4-(pyridin-2-ylmethoxy)aniline dihydrochloride

CAS: 1431970-14-7

Formula: C12H13Cl2FN2O

SMILES: Cl.Cl.NC1=CC=C(OCC2=CC=CC=N2)C(F)=C1

IUPAC: 3-fluoro-4-[(pyridin-2-yl)methoxy]aniline dihydrochloride

InChI: InChI=1S/C12H11FN2O.2ClH/c13-11-7-9(14)4-5-12(11)16-8-10-3-1-2-6-15-10;;/h1-7H,8,14H2;2*1H

Composition: C (49.50%), H (4.50%), Cl (24.35%), F (6.53%), N (9.62%), O (5.50%)

Molar Mass: 291.15

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 290.0388966
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NBPXVKLPVVSKGD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.37
Topological Polar Surface Area 48.14
Polarizability 22.34
Ring Count 2
Rotatable Bond Count 3

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Kinentia Biosciences LLC
Purity LeadTime CAS PacketSize UnitPrice
95% <14 Days 1431970-14-7 $351.54$351.54
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Crea-Chim UAB
Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 1431970-14-7 $65.00$65.00
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