| CAS Number | 1452565-52-4 |
| Catalog Number | AG00IUMI(AGN-PC-0WB030) |
| Chemical Name | 4-(benzyloxy)-3-(methoxycarbonyl)benzenaminium chloride |
| IUPAC Name | (3-methoxycarbonyl-4-phenylmethoxyphenyl)azanium;chloride |
| InChI | InChI=1S/C15H15NO3.ClH/c1-18-15(17)13-9-12(16)7-8-14(13)19-10-11-5-3-2-4-6-11;/h2-9H,10,16H2,1H3;1H |
| InChI Key | NGZADAQWUCTKNC-UHFFFAOYSA-N |
| MDL Number | MFCD20921576 |
| Molecular Formula | C15H16ClNO3 |
| Molecular Weight | 293.7454 |
| SMILES | [Cl-].O=C(OC)C2(=C(OCC1(=CC=CC=C1))C=CC(=C2)[NH3+]) |
| Synonyms | 1452565-52-4,
4-(benzyloxy)-3-(methoxycarbonyl)benzenaminium chloride,
methyl 5-amino-2-(benzyloxy)benzoate hydrochloride,
KS-000026KA,
MFCD20921576,
AKOS015991459,
HD-0021,
MCULE-7431563859,
RP15882,
benzyloxymethoxycarbonylbenzenaminiumchloride,
4-(benzyloxy)-3-(methoxycarbonyl)anilinium chloride,
4-(Benzyloxy)-3-(methoxycarbonyl)-benzenaminium chloride,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.747g/mol |
| Monoisotopic Mass | 293.082g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number