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Home > Fluorides > 1356114-59-4
1356114-59-4 | 3-(4-Fluoro-2-nitrophenoxy)oxetane
CAS No: 1356114-59-4 Catalog No: AG01FE5A MDL No:
Product Description
Catalog Number:
AG01FE5A
Chemical Name:
3-(4-Fluoro-2-nitrophenoxy)oxetane
CAS Number:
1356114-59-4
Molecular Formula:
C9H8FNO4
Molecular Weight:
213.1625
IUPAC Name:
3-(4-fluoro-2-nitrophenoxy)oxetane
InChI:
InChI=1S/C9H8FNO4/c10-6-1-2-9(8(3-6)11(12)13)15-7-4-14-5-7/h1-3,7H,4-5H2
InChI Key:
QBPMXMSRGGDAPV-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)[N+](=O)[O-])OC1COC1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.164g/mol
Monoisotopic Mass:
213.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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