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4-{5-[(benzylamino)methyl]furan-2-yl}benzoic acid

4-{5-[(benzylamino)methyl]furan-2-yl}benzoic acid

Formula: C19H17NO3

SMILES: OC(=O)C1=CC=C(C=C1)C1=CC=C(CNCC2=CC=CC=C2)O1

IUPAC: 4-{5-[(benzylamino)methyl]furan-2-yl}benzoic acid

InChI: InChI=1S/C19H17NO3/c21-19(22)16-8-6-15(7-9-16)18-11-10-17(23-18)13-20-12-14-4-2-1-3-5-14/h1-11,20H,12-13H2,(H,21,22)

Composition: C (74.25%), H (5.58%), N (4.56%), O (15.62%)

Molar Mass: 307.349

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 307.120843411
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey VIGXINMNRGWLMR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.58
Topological Polar Surface Area 62.47
Polarizability 35.29
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H17NO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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