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Home > Fluorides > 1233953-00-8
1233953-00-8 | 4-[(2-Fluoro-4-nitrophenoxy)methyl]tetrahydro-2H-pyran
CAS No: 1233953-00-8 Catalog No: AG01F7WX MDL No:
Product Description
Catalog Number:
AG01F7WX
Chemical Name:
4-[(2-Fluoro-4-nitrophenoxy)methyl]tetrahydro-2H-pyran
CAS Number:
1233953-00-8
Molecular Formula:
C12H14FNO4
Molecular Weight:
255.2423
IUPAC Name:
4-[(2-fluoro-4-nitrophenoxy)methyl]oxane
InChI:
InChI=1S/C12H14FNO4/c13-11-7-10(14(15)16)1-2-12(11)18-8-9-3-5-17-6-4-9/h1-2,7,9H,3-6,8H2
InChI Key:
ZGGCXRBNFHNQMS-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1OCC1CCOCC1)[N+](=O)[O-]
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.245g/mol
Monoisotopic Mass:
255.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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