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2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-fluorophenyl)propanoic acid

2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-fluorophenyl)propanoic acid

CAS: 169243-86-1

Formula: C24H20FNO4

SMILES: OC(=O)C(CC1=CC=C(F)C=C1)NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2

IUPAC: 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(4-fluorophenyl)propanoic acid

InChI: InChI=1/C24H20FNO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)

Composition: C (71.10%), H (4.97%), F (4.69%), N (3.45%), O (15.78%)

Molar Mass: 405.425

Atom Count: 50

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 405.137636291
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey IXUMACXMEZBPJG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 109.41
Topological Polar Surface Area 75.63
Polarizability 43.24
Ring Count 4
Rotatable Bond Count 7

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Purity LeadTime CAS UnitPrice
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 169243-86-1 $51.35-$180.26$51.35$63.37$86.31$113.62$180.26
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Purity LeadTime CAS PacketSize UnitPrice
98% <2 Days 169243-86-1 $130.01-$748.36$130.01$130.01$272.03$272.03$748.36$748.36
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