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3-(3-bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoic acid

3-(3-bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoic acid

CAS: 284493-58-9

Formula: C14H18BrNO4

SMILES: CC(C)(C)OC(=O)NC(CC(O)=O)C1=CC=CC(Br)=C1

IUPAC: 3-(3-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}propanoic acid

InChI: InChI=1/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)

Composition: C (48.85%), H (5.27%), Br (23.21%), N (4.07%), O (18.59%)

Molar Mass: 344.205

Atom Count: 38

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 343.041921
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey UTYRIGRZLZNTLR-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.48
Topological Polar Surface Area 75.63
Polarizability 30.38
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 284493-58-9 $51.35-$180.26$51.35$63.37$86.31$113.62$180.26
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