Text Search
Structure Search

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

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

Formula: C12H16ClNO3

SMILES: CCOC1=CC=C(Cl)C=C1CNC(C)C(O)=O

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

InChI: InChI=1/C12H16ClNO3/c1-3-17-11-5-4-10(13)6-9(11)7-14-8(2)12(15)16/h4-6,8,14H,3,7H2,1-2H3,(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 1
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 FXSRHRGXUOKDHK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.9
Topological Polar Surface Area 58.56
Polarizability 25.98
Ring Count 1
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H16ClNO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote