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1247619-84-6 | [3-Fluoro-4-(oxan-4-yloxy)phenyl]methanamine
CAS No: 1247619-84-6 Catalog No: AG01FAL8 MDL No:
Product Description
Catalog Number:
AG01FAL8
Chemical Name:
[3-Fluoro-4-(oxan-4-yloxy)phenyl]methanamine
CAS Number:
1247619-84-6
Molecular Formula:
C12H16FNO2
Molecular Weight:
225.2593
IUPAC Name:
[3-fluoro-4-(oxan-4-yloxy)phenyl]methanamine
InChI:
InChI=1S/C12H16FNO2/c13-11-7-9(8-14)1-2-12(11)16-10-3-5-15-6-4-10/h1-2,7,10H,3-6,8,14H2
InChI Key:
YTPSDLFLZSZDQW-UHFFFAOYSA-N
SMILES:
NCc1ccc(c(c1)F)OC1CCOCC1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.117g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.263g/mol
Monoisotopic Mass:
225.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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