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3-{[(5-chloro-2-ethoxyphenyl)methyl]amino}propanoic acid

3-{[(5-chloro-2-ethoxyphenyl)methyl]amino}propanoic acid

Formula: C12H16ClNO3

SMILES: CCOC1=CC=C(Cl)C=C1CNCCC(O)=O

IUPAC: 3-{[(5-chloro-2-ethoxyphenyl)methyl]amino}propanoic acid

InChI: InChI=1S/C12H16ClNO3/c1-2-17-11-4-3-10(13)7-9(11)8-14-6-5-12(15)16/h3-4,7,14H,2,5-6,8H2,1H3,(H,15,16)

Composition: C (55.93%), H (6.26%), Cl (13.76%), N (5.44%), O (18.62%)

Molar Mass: 257.71

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 257.0818711
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey LWMURIJAQFOQBQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.11
Topological Polar Surface Area 58.56
Polarizability 25.98
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H16ClNO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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