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tert-butyl 2-(4-bromo-2-fluorophenyl)pyrrolidine-1-carboxylate

tert-butyl 2-(4-bromo-2-fluorophenyl)pyrrolidine-1-carboxylate

CAS: 1260877-27-7

Formula: C15H19BrFNO2

SMILES: CC(C)(C)OC(=O)N1CCCC1C1=CC=C(Br)C=C1F

IUPAC: tert-butyl 2-(4-bromo-2-fluorophenyl)pyrrolidine-1-carboxylate

InChI: InChI=1/C15H19BrFNO2/c1-15(2,3)20-14(19)18-8-4-5-13(18)11-7-6-10(16)9-12(11)17/h6-7,9,13H,4-5,8H2,1-3H3

Composition: C (52.34%), H (5.56%), Br (23.21%), F (5.52%), N (4.07%), O (9.30%)

Molar Mass: 344.224

Atom Count: 39

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 343.05832
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey QTHKVXCTSVSLEO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.35
Topological Polar Surface Area 29.54
Polarizability 30.61
Ring Count 2
Rotatable Bond Count 3

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Struchem co.,ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1260877-27-7 $830.00-$2,970.00$830.00$1,700.00$2,970.00
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J&W PHARMLAB LLC
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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1260877-27-7 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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