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tert-butyl N-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]carbamate

tert-butyl N-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]carbamate

CAS: 380610-92-4

Formula: C13H18BrNO3

SMILES: CC(C)(C)OC(=O)N[C@@H](CO)C1=CC=CC(Br)=C1

IUPAC: tert-butyl N-[(1R)-1-(3-bromophenyl)-2-hydroxyethyl]carbamate

InChI: InChI=1S/C13H18BrNO3/c1-13(2,3)18-12(17)15-11(8-16)9-5-4-6-10(14)7-9/h4-7,11,16H,8H2,1-3H3,(H,15,17)/t11-/m0/s1

Composition: C (49.38%), H (5.74%), Br (25.27%), N (4.43%), O (15.18%)

Molar Mass: 316.195

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 315.047006
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey CYSVECFBQRKMKO-NSHDSACASA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.99
Topological Polar Surface Area 58.56
Polarizability 28.57
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 380610-92-4 $17.65-$238.33$17.65$23.96$61.79$238.33
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