| CAS Number | 505-12-4 |
| Catalog Number | AG00DVWS(AGN-PC-0JK9K6) |
| Chemical Name | 2-fluoroethyl isocyanate |
| IUPAC Name | 1-fluoro-2-isocyanatoethane |
| InChI | InChI=1S/C3H4FNO/c4-1-2-5-3-6/h1-2H2 |
| InChI Key | JNAJXLFIFYAWRN-UHFFFAOYSA-N |
| MDL Number | MFCD01718083 |
| Molecular Formula | C3H4FNO |
| Molecular Weight | 89.0684 |
| SMILES | FCCN=C=O |
| Synonyms | 2-Fluoroethyl isocyanate,
ISOCYANIC ACID, 2-FLUOROETHYL ESTER,
BRN 1098591,
505-12-4,
AC1L1V7Z,
1-fluoro-2-isocyanatoethane,
4-04-00-00441 (Beilstein Handbook Reference),
DTXSID00198512,
LS-84446,
C3H4FNO,
C3-H4-F-N-O,
CID10449,
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| Complexity | 67.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 89.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 89.069g/mol |
| Monoisotopic Mass | 89.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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