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2-[(3-bromophenyl)methyl]-3-[(tert-butoxycarbonyl)amino]propanoic acid

2-[(3-bromophenyl)methyl]-3-[(tert-butoxycarbonyl)amino]propanoic acid

CAS: 886364-87-0

Formula: C15H20BrNO4

SMILES: CC(C)(C)OC(=O)NCC(CC1=CC=CC(Br)=C1)C(O)=O

IUPAC: 2-[(3-bromophenyl)methyl]-3-{[(tert-butoxy)carbonyl]amino}propanoic acid

InChI: InChI=1/C15H20BrNO4/c1-15(2,3)21-14(20)17-9-11(13(18)19)7-10-5-4-6-12(16)8-10/h4-6,8,11H,7,9H2,1-3H3,(H,17,20)(H,18,19)

Composition: C (50.29%), H (5.63%), Br (22.31%), N (3.91%), O (17.86%)

Molar Mass: 358.232

Atom Count: 41

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 357.057571
Formal Charge 0
FSP3 0.47
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey PALAEQFKVALUOR-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.47
Topological Polar Surface Area 75.63
Polarizability 32.2
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 886364-87-0 $159.36-$370.56$159.36$244.80$370.56
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