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tert-butyl (4S)-4-[(1E)-3-bromoprop-1-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(1E)-3-bromoprop-1-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

CAS: 144619-38-5

Formula: C13H22BrNO3

SMILES: CC(C)(C)OC(=O)N1[C@H](COC1(C)C)C=CCBr

IUPAC: tert-butyl (4S)-4-[(1E)-3-bromoprop-1-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

InChI: InChI=1S/C13H22BrNO3/c1-12(2,3)18-11(16)15-10(7-6-8-14)9-17-13(15,4)5/h6-7,10H,8-9H2,1-5H3/b7-6+/t10-/m0/s1

Composition: C (48.76%), H (6.93%), Br (24.95%), N (4.37%), O (14.99%)

Molar Mass: 320.227

Atom Count: 40

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 319.078307
Formal Charge 0
FSP3 0.77
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LRQFEHKKEOQOPY-FGEFZZPRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.75
Topological Polar Surface Area 38.77
Polarizability 29.06
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
94% <5 Days 144619-38-5 $128.62-$230.76$128.62$230.76
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