| CAS Number | 339019-80-6 |
| Catalog Number | AG00IRWW(AGN-PC-0WAW2K) |
| Chemical Name | N-[(2,6-difluorobenzoyl)oxy]-N-[(Z)-(3-nitro-4-piperidinophenyl)methylidene]amine |
| IUPAC Name | [(3-nitro-4-piperidin-1-ylphenyl)methylideneamino] 2,6-difluorobenzoate |
| InChI | InChI=1S/C19H17F2N3O4/c20-14-5-4-6-15(21)18(14)19(25)28-22-12-13-7-8-16(17(11-13)24(26)27)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10H2 |
| InChI Key | GWNNZQSFEKYADA-UHFFFAOYSA-N |
| MDL Number | MFCD01568421 |
| Molecular Formula | C19H17F2N3O4 |
| Molecular Weight | 389.3528 |
| SMILES | FC1(=C(C(F)=CC=C1)C(=O)ON=CC3(=CC([N+](=O)[O-])=C(N2(CCCCC2))C=C3)) |
| Synonyms | 339019-80-6,
N-[(2,6-difluorobenzoyl)oxy]-N-[(Z)-(3-nitro-4-piperidinophenyl)methylidene]amine,
AC1MTZSD,
Bionet1_003150,
[(3-nitro-4-piperidin-1-ylphenyl)methylideneamino] 2,6-difluorobenzoate,
KS-00001ZMN,
(Z)-{[3-nitro-4-(piperidin-1-yl)phenyl]methylidene}amino 2,6-difluorobenzoate,
HMS2156M10,
HMS3319C20,
AKOS030245495,
MCULE-4424646579,
MLS000326582,
CID3610456,
|
| Complexity | 570 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.359g/mol |
| Monoisotopic Mass | 389.119g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number