| CAS Number | 720678-21-7 |
| Catalog Number | AG00FHOB(AGN-PC-00UXSO) |
| Chemical Name | 2-Chloro-6-fluorophenyl isocyanate |
| IUPAC Name | 1-chloro-3-fluoro-2-isocyanatobenzene |
| InChI | InChI=1S/C7H3ClFNO/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H |
| InChI Key | KMDUNDOCWFAOSP-UHFFFAOYSA-N |
| MDL Number | MFCD08444547 |
| Molecular Formula | C7H3ClFNO |
| Molecular Weight | 171.5562 |
| SMILES | ClC1=C(C(=CC=C1)F)N=C=O |
| Synonyms | 1-chloro-3-fluoro-2-isocyanatobenzene,
720678-21-7,
2-chloro-6-fluorophenyl isocyanate,
Benzene, 1-chloro-3-fluoro-2-isocyanato-,
PubChem23921,
AC1Q4LE4,
SCHEMBL1950281,
CTK7G9889,
ALBB-019520,
MFCD08444547,
ZINC12505369,
AKOS004910807,
FS-5337,
EN300-27127,
Y-9441,
1-chloro-3-fluoro-2-isocyanatobenzene, AldrichCPR,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.555g/mol |
| Monoisotopic Mass | 170.989g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number