| CAS Number | 380241-60-1 |
| Catalog Number | AG00CNC3(AGN-PC-0NE7E4) |
| Chemical Name | 4-Amino-2-fluoro-5-iodobenzonitrile |
| IUPAC Name | 4-amino-2-fluoro-5-iodobenzonitrile |
| InChI | InChI=1S/C7H4FIN2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-2H,11H2 |
| InChI Key | WSDHSOHYAMHUIA-UHFFFAOYSA-N |
| MDL Number | MFCD09909321 |
| Molecular Formula | C7H4FIN2 |
| Molecular Weight | 262.0229 |
| SMILES | N#CC1=CC(I)=C(N)C=C1F |
| Synonyms | 4-AMINO-2-FLUORO-5-IODOBENZONITRILE,
380241-60-1,
SCHEMBL20595008,
CTK8I5003,
DTXSID40451395,
AB3025,
MFCD09909321,
ZINC95831076,
FCH1395479,
AS-44675,
PC501465,
SY236670,
CS-0068963,
MFCD09909321 (95%),
4-amino-2-fluoro-5-iodo-benzonitrile,
CID10999846,
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| 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 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number