| CAS Number | 432531-43-6 |
| Catalog Number | AG00DIQ8(AGN-PC-0WOIFQ) |
| Chemical Name | 1-(4-Fluoro-2-nitrophenyl)-4-methylpiperazine |
| IUPAC Name | 1-(4-fluoro-2-nitrophenyl)-4-methylpiperazine |
| InChI | InChI=1S/C11H14FN3O2/c1-13-4-6-14(7-5-13)10-3-2-9(12)8-11(10)15(16)17/h2-3,8H,4-7H2,1H3 |
| InChI Key | SVXUJOMAWXJSIK-UHFFFAOYSA-N |
| MDL Number | MFCD03144445 |
| Molecular Formula | C11H14FN3O2 |
| Molecular Weight | 239.2462 |
| SMILES | C1(F)=CC=C(C([N+]([O-])=O)=C1)N1CCN(C)CC1 |
| Synonyms | 1-(4-fluoro-2-nitrophenyl)-4-methylpiperazine,
432531-43-6,
AC1MF94R,
Cambridge id 6838238,
SCHEMBL5324355,
DTXSID90387796,
ZINC4819043,
MFCD03144445,
AKOS003291197,
KS-5421,
MCULE-2098653109,
SR-01000244414,
SR-01000244414-1,
1-(4-Fluoro-2-nitrophenyl)-4-Methylpiperazine, 97%,
CID2915664,
1-(4-fluoro-2-nitro-phenyl)-4-methyl-piperazine,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.25g/mol |
| Monoisotopic Mass | 239.107g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number