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Home > Fluorides > 1233952-94-7
1233952-94-7 | 3-Fluoro-4-[(tetrahydro-2H-pyran-4-yl)methoxy]aniline
CAS No: 1233952-94-7 Catalog No: AG01F873 MDL No:
Product Description
Catalog Number:
AG01F873
Chemical Name:
3-Fluoro-4-[(tetrahydro-2H-pyran-4-yl)methoxy]aniline
CAS Number:
1233952-94-7
Molecular Formula:
C12H16FNO2
Molecular Weight:
225.2593
IUPAC Name:
3-fluoro-4-(oxan-4-ylmethoxy)aniline
InChI:
InChI=1S/C12H16FNO2/c13-11-7-10(14)1-2-12(11)16-8-9-3-5-15-6-4-9/h1-2,7,9H,3-6,8,14H2
InChI Key:
IWDOJHWMDCSVKQ-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)F)OCC1CCOCC1
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:
1.9
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