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1283657-88-4 | 4-[4-(Trifluoromethyl)phenyl]oxan-4-yl-methanamine
CAS No: 1283657-88-4 Catalog No: AG01F8ZA MDL No:
Product Description
Catalog Number:
AG01F8ZA
Chemical Name:
4-[4-(Trifluoromethyl)phenyl]oxan-4-yl-methanamine
CAS Number:
1283657-88-4
Molecular Formula:
C13H16F3NO
Molecular Weight:
259.2674
IUPAC Name:
[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]methanamine
InChI:
InChI=1S/C13H16F3NO/c14-13(15,16)11-3-1-10(2-4-11)12(9-17)5-7-18-8-6-12/h1-4H,5-9,17H2
InChI Key:
JGLUGLOJKIXUNJ-UHFFFAOYSA-N
SMILES:
NCC1(CCOCC1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.272g/mol
Monoisotopic Mass:
259.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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