| CAS Number | 329927-16-4 |
| Catalog Number | AG00CMX3(AGN-PC-0437J8) |
| Chemical Name | 3-Fluoro-4-iodo-2-methylaniline |
| IUPAC Name | 3-fluoro-4-iodo-2-methylaniline |
| InChI | InChI=1S/C7H7FIN/c1-4-6(10)3-2-5(9)7(4)8/h2-3H,10H2,1H3 |
| InChI Key | NFJMWGRBWAJRLD-UHFFFAOYSA-N |
| MDL Number | MFCD21364950 |
| Molecular Formula | C7H7FIN |
| Molecular Weight | 251.0401 |
| SMILES | CC1=C(N)C=CC(I)=C1F |
| Synonyms | 3-Fluoro-4-iodo-2-methylaniline,
329927-16-4,
3-fluoro-4-iodo-2-methylbenzenamine,
SCHEMBL6561003,
4-Iodo-3-fluoro-2-methylaniline,
NFJMWGRBWAJRLD-UHFFFAOYSA-N,
MFCD21364950,
AKOS025404572,
ZINC142392953,
CS-W004247,
Benzenamine, 3-fluoro-4-iodo-2-methyl-,
PS-11836,
AS-813/43501963,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.043g/mol |
| Monoisotopic Mass | 250.961g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number