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1385696-28-5 | 4-[2-(Trifluoromethyl)phenyl]oxan-4-amine
CAS No: 1385696-28-5 Catalog No: AG01FBMD MDL No:
Product Description
Catalog Number:
AG01FBMD
Chemical Name:
4-[2-(Trifluoromethyl)phenyl]oxan-4-amine
CAS Number:
1385696-28-5
Molecular Formula:
C12H14F3NO
Molecular Weight:
245.2409
IUPAC Name:
4-[2-(trifluoromethyl)phenyl]oxan-4-amine
InChI:
InChI=1S/C12H14F3NO/c13-12(14,15)10-4-2-1-3-9(10)11(16)5-7-17-8-6-11/h1-4H,5-8,16H2
InChI Key:
GUINCQWIDASQKR-UHFFFAOYSA-N
SMILES:
NC1(CCOCC1)c1ccccc1C(F)(F)F
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.245g/mol
Monoisotopic Mass:
245.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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