| CAS Number | 14213-18-4 |
| Catalog Number | AG01BHLL(AGN-PC-0EMJJN) |
| Chemical Name | [(3-fluorophenyl)amino]formonitrile |
| IUPAC Name | (3-fluorophenyl)cyanamide |
| InChI | InChI=1S/C7H5FN2/c8-6-2-1-3-7(4-6)10-5-9/h1-4,10H |
| InChI Key | GUERRJKMJMUHRH-UHFFFAOYSA-N |
| MDL Number | MFCD16767978 |
| Molecular Formula | C7H5FN2 |
| Molecular Weight | 136.1264 |
| SMILES | FC1=CC(NC#N)=CC=C1 |
| Synonyms | [(3-fluorophenyl)amino]carbonitrile,
14213-18-4,
3-Fluorophenylcyanamide,
[(3-fluorophenyl)amino]formonitrile,
ZINC52832170,
AKOS011770759,
N-(3-fluorophenyl)cyanamide,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.129g/mol |
| Monoisotopic Mass | 136.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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