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83398-56-5 | Oxirane, (fluoromethyl)-, (R)-
CAS No: 83398-56-5 Catalog No: AG004S3A MDL No:
Product Description
Catalog Number:
AG004S3A
Chemical Name:
Oxirane, (fluoromethyl)-, (R)-
CAS Number:
83398-56-5
Molecular Formula:
C3H5FO
Molecular Weight:
76.0696
IUPAC Name:
(2R)-2-(fluoromethyl)oxirane
InChI:
InChI=1S/C3H5FO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m0/s1
InChI Key:
OIFAHDAXIUURLN-VKHMYHEASA-N
SMILES:
FC[C@H]1CO1
EC Number:
617-459-3
Properties
Complexity:
37.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
76.032g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
76.07g/mol
Monoisotopic Mass:
76.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity. | Bioorganic & medicinal chemistry 20080515 |
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