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81228-35-5 | 1-[4-[2-[2-(4-fluorophenyl)ethoxy]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CAS No: 81228-35-5 Catalog No: AG005F3G MDL No:
Product Description
Catalog Number:
AG005F3G
Chemical Name:
1-[4-[2-[2-(4-fluorophenyl)ethoxy]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CAS Number:
81228-35-5
Molecular Formula:
C22H30FNO4
Molecular Weight:
391.4763
IUPAC Name:
1-[4-[2-[2-(4-fluorophenyl)ethoxy]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
InChI:
InChI=1S/C22H30FNO4/c1-17(2)24-15-20(25)16-28-22-9-7-21(8-10-22)27-14-13-26-12-11-18-3-5-19(23)6-4-18/h3-10,17,20,24-25H,11-16H2,1-2H3
InChI Key:
CYCXZGUVPDRYLG-UHFFFAOYSA-N
SMILES:
OC(COc1ccc(cc1)OCCOCCc1ccc(cc1)F)CNC(C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.216g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
391.483g/mol
Monoisotopic Mass:
391.216g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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