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tert-butyl N-[(3R)-7-bromo-2,3-dihydro-1-benzofuran-3-yl]carbamate

tert-butyl N-[(3R)-7-bromo-2,3-dihydro-1-benzofuran-3-yl]carbamate

CAS: 2165942-43-6

Formula: C13H16BrNO3

SMILES: CC(C)(C)OC(=O)N[C@H]1COC2=C1C=CC=C2Br

IUPAC: tert-butyl N-[(3R)-7-bromo-2,3-dihydro-1-benzofuran-3-yl]carbamate

InChI: InChI=1S/C13H16BrNO3/c1-13(2,3)18-12(16)15-10-7-17-11-8(10)5-4-6-9(11)14/h4-6,10H,7H2,1-3H3,(H,15,16)/t10-/m0/s1

Composition: C (49.70%), H (5.13%), Br (25.43%), N (4.46%), O (15.28%)

Molar Mass: 314.179

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 313.031356
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey OKMQJPNDYZKGNF-JTQLQIEISA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.19
Topological Polar Surface Area 47.56
Polarizability 27.93
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 2165942-43-6 $346.78-$554.84$346.78$554.84
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