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

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

CAS: 188814-36-0

Formula: C24H20FNO4

SMILES: OC(=O)CC(NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C1=CC=C(F)C=C1

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

InChI: InChI=1/C24H20FNO4/c25-16-11-9-15(10-12-16)22(13-23(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 PQXRHKBSMBRBBW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 109.28
Topological Polar Surface Area 75.63
Polarizability 43.24
Ring Count 4
Rotatable Bond Count 7

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 188814-36-0 $95.04-$413.76$95.04$138.24$413.76
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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 188814-36-0 $88.27-$505.66$88.27$110.97$136.19$185.37$505.66
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