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methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate hydrochloride

methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate hydrochloride

CAS: 1354970-82-3

Formula: C11H13ClF3NO2

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

IUPAC: methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate hydrochloride

InChI: InChI=1S/C11H12F3NO2.ClH/c1-17-10(16)6-9(15)7-3-2-4-8(5-7)11(12,13)14;/h2-5,9H,6,15H2,1H3;1H/t9-;/m1./s1

Composition: C (46.57%), H (4.62%), Cl (12.50%), F (20.09%), N (4.94%), O (11.28%)

Molar Mass: 283.68

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 283.0586909
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DGWMURZHACRUMX-SBSPUUFOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.73
Topological Polar Surface Area 52.32
Polarizability 21.16
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1354970-82-3 $1,147.70-$4,597.70$1,147.70$4,597.70
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