| CAS Number | 1172753-27-3 |
| Catalog Number | AG019MPH |
| Chemical Name | 2-fluoro-6-(piperazin-1-yl)benzonitrile hydrochloride |
| IUPAC Name | 2-fluoro-6-piperazin-1-ylbenzonitrile;hydrochloride |
| InChI | InChI=1S/C11H12FN3.ClH/c12-10-2-1-3-11(9(10)8-13)15-6-4-14-5-7-15;/h1-3,14H,4-7H2;1H |
| InChI Key | KVPRAWBLGRTSHW-UHFFFAOYSA-N |
| MDL Number | MFCD11099448 |
| Molecular Formula | C11H13ClFN3 |
| Molecular Weight | 241.6924 |
| SMILES | N#CC1=C(N2CCNCC2)C=CC=C1F.[H]Cl |
| Synonyms | 2-fluoro-6-(piperazin-1-yl)benzonitrile hydrochloride,
1172753-27-3,
2-fluoro-6-piperazin-1-ylbenzonitrile hydrochloride,
EN300-36877,
AC1Q3C9C,
CTK7C6536,
MCULE-9133752092,
NE14867,
Z381061506,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.694g/mol |
| Monoisotopic Mass | 241.078g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 39.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number