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ethyl 2-[(tert-butoxycarbonyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate

ethyl 2-[(tert-butoxycarbonyl)amino]-5-fluoro-1,3-dihydroindene-2-carboxylate

CAS: 1416440-28-2

Formula: C17H22FNO4

SMILES: CCOC(=O)C1(CC2=CC=C(F)C=C2C1)NC(=O)OC(C)(C)C

IUPAC: ethyl 2-{[(tert-butoxy)carbonyl]amino}-5-fluoro-2,3-dihydro-1H-indene-2-carboxylate

InChI: InChI=1/C17H22FNO4/c1-5-22-14(20)17(19-15(21)23-16(2,3)4)9-11-6-7-13(18)8-12(11)10-17/h6-8H,5,9-10H2,1-4H3,(H,19,21)

Composition: C (63.14%), H (6.86%), F (5.88%), N (4.33%), O (19.79%)

Molar Mass: 323.364

Atom Count: 45

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 323.153286355
Formal Charge 0
FSP3 0.53
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VDDIYHUEZRTSPT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 83
Topological Polar Surface Area 64.63
Polarizability 32.25
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1416440-28-2 $388.03-$1,344.53$388.03$707.80$1,344.53
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