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26629-94-7 | Morpholine, 4-butyl-2-[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1)
CAS No: 26629-94-7 Catalog No: AG002TVG MDL No:
Product Description
Catalog Number:
AG002TVG
Chemical Name:
Morpholine, 4-butyl-2-[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1)
CAS Number:
26629-94-7
Molecular Formula:
C15H21ClF3NO
Molecular Weight:
323.7815
IUPAC Name:
4-butyl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride
InChI:
InChI=1S/C15H20F3NO.ClH/c1-2-3-7-19-8-9-20-14(11-19)12-5-4-6-13(10-12)15(16,17)18;/h4-6,10,14H,2-3,7-9,11H2,1H3;1H
InChI Key:
XKFYUVMWLVEYOL-UHFFFAOYSA-N
SMILES:
CCCCN1CCOC(C1)c1cccc(c1)C(F)(F)F.Cl
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.784g/mol
Monoisotopic Mass:
323.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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