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(2S)-2-amino-3-[4-(2-bromoethoxy)phenyl]propanoic acid hydrochloride

(2S)-2-amino-3-[4-(2-bromoethoxy)phenyl]propanoic acid hydrochloride

CAS: 481052-60-2

Formula: C11H15BrClNO3

SMILES: Cl[H].N[C@@H](CC1=CC=C(OCCBr)C=C1)C(O)=O

IUPAC: (2S)-2-amino-3-[4-(2-bromoethoxy)phenyl]propanoic acid hydrochloride

InChI: InChI=1S/C11H14BrNO3.ClH/c12-5-6-16-9-3-1-8(2-4-9)7-10(13)11(14)15;/h1-4,10H,5-7,13H2,(H,14,15);1H/t10-;/m0./s1

Composition: C (40.70%), H (4.66%), Br (24.62%), Cl (10.92%), N (4.32%), O (14.79%)

Molar Mass: 324.6

Atom Count: 32

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 322.992384
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey HSSDZAPNYYCZMQ-PPHPATTJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.91
Topological Polar Surface Area 72.55
Polarizability 25.03
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS UnitPrice
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97% <7 Days 481052-60-2 $172.80-$482.88$172.80$311.04$482.88
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