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114333-71-0 | Acetic acid, 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]-
CAS No: 114333-71-0 Catalog No: AG000B4D MDL No:
Product Description
Catalog Number:
AG000B4D
Chemical Name:
Acetic acid, 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]-
CAS Number:
114333-71-0
Molecular Formula:
C19H22ClNO4
Molecular Weight:
363.8353
IUPAC Name:
2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid
InChI:
InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)
InChI Key:
ZGGNJJJYUVRADP-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)OCC(=O)O)NCC(c1cccc(c1)Cl)O
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.124g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
363.838g/mol
Monoisotopic Mass:
363.124g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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