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(3R)-3-amino-3-(3,4-dichlorophenyl)propanoic acid hydrochloride

(3R)-3-amino-3-(3,4-dichlorophenyl)propanoic acid hydrochloride

CAS: 2097958-05-7

Formula: C9H10Cl3NO2

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

IUPAC: (3R)-3-amino-3-(3,4-dichlorophenyl)propanoic acid hydrochloride

InChI: InChI=1S/C9H9Cl2NO2.ClH/c10-6-2-1-5(3-7(6)11)8(12)4-9(13)14;/h1-3,8H,4,12H2,(H,13,14);1H/t8-;/m1./s1

Composition: C (39.96%), H (3.73%), Cl (39.31%), N (5.18%), O (11.83%)

Molar Mass: 270.53

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 268.9777117
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey MXVMZTUYNYCRDW-DDWIOCJRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.6
Topological Polar Surface Area 63.32
Polarizability 21.74
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 2097958-05-7 $138.71-$277.42$138.71$277.42
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