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N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide

N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide

CAS: 2270918-63-1

Formula: C14H18FN3O

SMILES: CN1CCN(CC1)C1=C(F)C=C(NC(=O)C=C)C=C1

IUPAC: N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide

InChI: InChI=1S/C14H18FN3O/c1-3-14(19)16-11-4-5-13(12(15)10-11)18-8-6-17(2)7-9-18/h3-5,10H,1,6-9H2,2H3,(H,16,19)

Composition: C (63.86%), H (6.89%), F (7.22%), N (15.96%), O (6.08%)

Molar Mass: 263.316

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 263.143390375
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UXRJTNWWBDDYHA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.26
Topological Polar Surface Area 35.58
Polarizability 27.62
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2270918-63-1 $51.35-$86.31$51.35$63.37$86.31
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