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

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

Formula: C25H21F2NO4

SMILES: OC(=O)C(CC1=CC=C(C=C1)C(F)F)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

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

InChI: InChI=1/C25H21F2NO4/c26-23(27)16-11-9-15(10-12-16)13-22(24(29)30)28-25(31)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-23H,13-14H2,(H,28,31)(H,29,30)

Composition: C (68.64%), H (4.84%), F (8.69%), N (3.20%), O (14.63%)

Molar Mass: 437.443

Atom Count: 53

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 437.143864486
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey MKKRFWADPCHCFX-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 114.28
Topological Polar Surface Area 75.63
Polarizability 44.81
Ring Count 4
Rotatable Bond Count 8

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Purity LeadTime Formula UnitPrice
98% <10 Days C25H21F2NO4 Quote Only