| CAS Number | 1000577-82-1 |
| Catalog Number | AG0096XR(AGN-PC-0WNGCT) |
| Chemical Name | 6-Amino-2-fluoro-3-iodo-benzonitrile |
| IUPAC Name | 6-amino-2-fluoro-3-iodobenzonitrile |
| InChI | InChI=1S/C7H4FIN2/c8-7-4(3-10)6(11)2-1-5(7)9/h1-2H,11H2 |
| InChI Key | NXYRGTVCZLTGEZ-UHFFFAOYSA-N |
| MDL Number | MFCD09800813 |
| Molecular Formula | C7H4FIN2 |
| Molecular Weight | 262.0229 |
| SMILES | C1=C(C(=C(C#N)C(=C1)N)F)I |
| Synonyms | 6-amino-2-fluoro-3-iodobenzonitrile,
1000577-82-1,
2-Amino-6-fluoro-5-iodobenzonitrile,
SCHEMBL14837971,
NXYRGTVCZLTGEZ-UHFFFAOYSA-N,
MFCD09800813,
ZINC15443837,
6-Amino-2-fluoro-3-iodo-benzonitrile,
CS-12347,
DA-48481,
SY047118,
FT-0742900,
MFCD09800813 (95%),
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.026g/mol |
| Monoisotopic Mass | 261.94g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number