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Home > Fluorides > 161401-78-1
161401-78-1 | Pentanoic acid, 5-fluoro-4-hydroxy-3-nitro-, 1,1-dimethylethyl ester
CAS No: 161401-78-1 Catalog No: AG001SFT MDL No:
Product Description
Catalog Number:
AG001SFT
Chemical Name:
Pentanoic acid, 5-fluoro-4-hydroxy-3-nitro-, 1,1-dimethylethyl ester
CAS Number:
161401-78-1
Molecular Formula:
C9H16FNO5
Molecular Weight:
237.2254
IUPAC Name:
tert-butyl 5-fluoro-4-hydroxy-3-nitropentanoate
InChI:
InChI=1S/C9H16FNO5/c1-9(2,3)16-8(13)4-6(11(14)15)7(12)5-10/h6-7,12H,4-5H2,1-3H3
InChI Key:
SKTPZQUACZEWTQ-UHFFFAOYSA-N
SMILES:
FCC(C([N+](=O)[O-])CC(=O)OC(C)(C)C)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.227g/mol
Monoisotopic Mass:
237.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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