| CAS Number | 1174233-36-3 |
| Catalog Number | AG01B1R4 |
| Chemical Name | 1,2-Difluoro-3-isocyanatobenzene |
| IUPAC Name | 1,2-difluoro-3-isocyanatobenzene |
| InChI | InChI=1S/C7H3F2NO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H |
| InChI Key | GSYUYIOROOKTAN-UHFFFAOYSA-N |
| MDL Number | MFCD16836280 |
| Molecular Formula | C7H3F2NO |
| Molecular Weight | 155.1016 |
| SMILES | C1=CC(=C(C(=C1)F)F)N=C=O |
| Synonyms | 1,2-DIFLUORO-3-ISOCYANATOBENZENE,
1174233-36-3,
SCHEMBL1595410,
1,2-Difluoro-3-isoyanatobenzene,
MFCD16836280,
ZINC54206901,
AKOS011944130,
AB71531,
NE19109,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.104g/mol |
| Monoisotopic Mass | 155.018g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number