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131961-73-4 | Benzenemethanol, α-[[2-(dimethylamino)ethoxy]methyl]-4-(4-fluorophenoxy)-, hydrochloride (1:1)
CAS No: 131961-73-4 Catalog No: AG000ZZP MDL No:
Product Description
Catalog Number:
AG000ZZP
Chemical Name:
Benzenemethanol, α-[[2-(dimethylamino)ethoxy]methyl]-4-(4-fluorophenoxy)-, hydrochloride (1:1)
CAS Number:
131961-73-4
Molecular Formula:
C18H23ClFNO3
Molecular Weight:
355.8315
IUPAC Name:
2-[2-(dimethylamino)ethoxy]-1-[4-(4-fluorophenoxy)phenyl]ethanol;hydrochloride
InChI:
InChI=1S/C18H22FNO3.ClH/c1-20(2)11-12-22-13-18(21)14-3-7-16(8-4-14)23-17-9-5-15(19)6-10-17;/h3-10,18,21H,11-13H2,1-2H3;1H
InChI Key:
FKKAXJAJYDUJOL-UHFFFAOYSA-N
SMILES:
OC(c1ccc(cc1)Oc1ccc(cc1)F)COCCN(C)C.Cl
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.135g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.834g/mol
Monoisotopic Mass:
355.135g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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