| CAS Number | 260552-98-5 |
| Catalog Number | AG00BQFP(AGN-PC-0KL16N) |
| Chemical Name | 2,6-Difluoro-3-nitrobenzoyl chloride |
| IUPAC Name | 2,6-difluoro-3-nitrobenzoyl chloride |
| InChI | InChI=1S/C7H2ClF2NO3/c8-7(12)5-3(9)1-2-4(6(5)10)11(13)14/h1-2H |
| InChI Key | URMNSJGLMUMDDC-UHFFFAOYSA-N |
| MDL Number | MFCD01571122 |
| Molecular Formula | C7H2ClF2NO3 |
| Molecular Weight | 221.5455 |
| SMILES | FC1=C(C(=O)Cl)C(=CC=C1[N+](=O)[O-])F |
| Synonyms | 2,6-difluoro-3-nitrobenzoyl chloride,
260552-98-5,
2,6-difluoro-3-nitro-benzoyl chloride,
AC1MD0RV,
SCHEMBL288357,
CTK5I2995,
DTXSID20381848,
URMNSJGLMUMDDC-UHFFFAOYSA-N,
ZINC2381234,
MFCD01571122,
SBB096190,
AKOS015995842,
FS-4345,
Y-9392,
ZINC02381234,
CID2781756,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.544g/mol |
| Monoisotopic Mass | 220.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number