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1393330-71-6 | [3,5-Difluoro-4-(oxan-4-yloxy)phenyl]methanamine
CAS No: 1393330-71-6 Catalog No: AG01F9JH MDL No:
Product Description
Catalog Number:
AG01F9JH
Chemical Name:
[3,5-Difluoro-4-(oxan-4-yloxy)phenyl]methanamine
CAS Number:
1393330-71-6
Molecular Formula:
C12H15F2NO2
Molecular Weight:
243.2498
IUPAC Name:
[3,5-difluoro-4-(oxan-4-yloxy)phenyl]methanamine
InChI:
InChI=1S/C12H15F2NO2/c13-10-5-8(7-15)6-11(14)12(10)17-9-1-3-16-4-2-9/h5-6,9H,1-4,7,15H2
InChI Key:
RGLBMAQHKSSNJP-UHFFFAOYSA-N
SMILES:
NCc1cc(F)c(c(c1)F)OC1CCOCC1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.107g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.254g/mol
Monoisotopic Mass:
243.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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