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89139-29-7 | 1-(benzylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol hydrochloride
CAS No: 89139-29-7 Catalog No: AG003WXH MDL No:
Product Description
Catalog Number:
AG003WXH
Chemical Name:
1-(benzylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol hydrochloride
CAS Number:
89139-29-7
Molecular Formula:
C17H19ClF3NO2
Molecular Weight:
361.7865
IUPAC Name:
1-(benzylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride
InChI:
InChI=1S/C17H18F3NO2.ClH/c18-17(19,20)14-7-4-8-16(9-14)23-12-15(22)11-21-10-13-5-2-1-3-6-13;/h1-9,15,21-22H,10-12H2;1H
InChI Key:
MXEXNZRLUKLAGU-UHFFFAOYSA-N
SMILES:
OC(COc1cccc(c1)C(F)(F)F)CNCc1ccccc1.Cl
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
361.789g/mol
Monoisotopic Mass:
361.106g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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