| CAS Number | 388091-38-1 |
| Catalog Number | AG00CLD5(AGN-PC-03H0FX) |
| Chemical Name | 5-Amino-2-fluoro-4-hydroxy-benzonitrile |
| IUPAC Name | 5-amino-2-fluoro-4-hydroxybenzonitrile |
| InChI | InChI=1S/C7H5FN2O/c8-5-2-7(11)6(10)1-4(5)3-9/h1-2,11H,10H2 |
| InChI Key | HCWFDMJNYDNDOB-UHFFFAOYSA-N |
| MDL Number | MFCD16658600 |
| Molecular Formula | C7H5FN2O |
| Molecular Weight | 152.1258 |
| SMILES | N#Cc1cc(N)c(cc1F)O |
| Synonyms | 5-Amino-2-fluoro-4-hydroxybenzonitrile,
388091-38-1,
5-Amino-2-fluoro-4-hydroxy-benzonitrile,
SCHEMBL2241900,
HCWFDMJNYDNDOB-UHFFFAOYSA-N,
ZINC39088479,
Benzonitrile, 5-amino-2-fluoro-4-hydroxy-,
Benzonitrile, 5-amino-2-fluoro-4-hydroxy- (9CI),
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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 | 152.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.128g/mol |
| Monoisotopic Mass | 152.039g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number