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2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4,4,4-trifluorobutanoic acid

2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4,4,4-trifluorobutanoic acid

CAS: 1219145-37-5

Formula: C19H16F3NO4

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

IUPAC: 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4,4,4-trifluorobutanoic acid

InChI: InChI=1/C19H16F3NO4/c20-19(21,22)9-16(17(24)25)23-18(26)27-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,23,26)(H,24,25)

Composition: C (60.16%), H (4.25%), F (15.03%), N (3.69%), O (16.87%)

Molar Mass: 379.335

Atom Count: 43

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 379.103142488
Formal Charge 0
FSP3 0.26
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CHNDOSLXDQUFJI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.73
Topological Polar Surface Area 75.63
Polarizability 35.09
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1219145-37-5 $687.70-$4,597.70$687.70$1,147.70$4,597.70
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