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tert-butyl N-[(1S)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate

tert-butyl N-[(1S)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate

CAS: 1414960-68-1

Formula: C14H18BrNO2

SMILES: CC(C)(C)OC(=O)N[C@H]1CCC2=CC=C(Br)C=C12

IUPAC: tert-butyl N-[(1S)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate

InChI: InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-12-7-5-9-4-6-10(15)8-11(9)12/h4,6,8,12H,5,7H2,1-3H3,(H,16,17)/t12-/m0/s1

Composition: C (53.86%), H (5.81%), Br (25.59%), N (4.49%), O (10.25%)

Molar Mass: 312.207

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 311.052092
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey YZEZLDIZHPBHGQ-LBPRGKRZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.61
Topological Polar Surface Area 38.33
Polarizability 29
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1414960-68-1 $207.00-$5,612.00$207.00$299.00$483.00$851.00$1,587.00$5,612.00
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