| CAS Number | 1338782-20-9 |
| Catalog Number | AG00ITUU(AGN-PC-0WAYBH) |
| Chemical Name | Methyl 2-(2-formylphenoxy)-5-nitrobenzoate |
| IUPAC Name | methyl 2-(2-formylphenoxy)-5-nitrobenzoate |
| InChI | InChI=1S/C15H11NO6/c1-21-15(18)12-8-11(16(19)20)6-7-14(12)22-13-5-3-2-4-10(13)9-17/h2-9H,1H3 |
| InChI Key | LWGJQPWXRWQCQL-UHFFFAOYSA-N |
| MDL Number | MFCD23697494 |
| Molecular Formula | C15H11NO6 |
| Molecular Weight | 301.2509 |
| SMILES | O=[N+]([O-])C2(=CC(=C(OC1(=C(C=CC=C1)C=O))C=C2)C(=O)OC) |
| Synonyms | methyl 2-(2-formylphenoxy)-5-nitrobenzoate,
1338782-20-9,
ZX-RL000710,
MFCD23697494,
ZINC91293266,
AKOS015996914,
BH-0713,
KS-0000230E,
OR303218,
|
| Complexity | 421 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.254g/mol |
| Monoisotopic Mass | 301.059g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 98.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number