| CAS Number | 1026989-94-5 |
| Catalog Number | AG00H9UG |
| Chemical Name | 2,3-Difluoro-4-iodoaniline |
| IUPAC Name | 2,3-difluoro-4-iodoaniline |
| InChI | InChI=1S/C6H4F2IN/c7-5-3(9)1-2-4(10)6(5)8/h1-2H,10H2 |
| InChI Key | UPFNMZVCKBKXJD-UHFFFAOYSA-N |
| MDL Number | MFCD21602052 |
| Molecular Formula | C6H4F2IN |
| Molecular Weight | 255.0039 |
| SMILES | C1=CC(=C(C(=C1I)F)F)N |
| Synonyms | 2,3-Difluoro-4-iodoaniline,
1026989-94-5,
SCHEMBL219898,
DTXSID70673189,
MFCD21602052,
ZINC79387260,
FCH1613717,
PC49086,
PS-10200,
AS-813/43501994,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.006g/mol |
| Monoisotopic Mass | 254.936g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number