AC1Q5UTA
2-[[4-[bis(2-chloroethyl)amino]-2,5-dimethoxyphenyl]methylideneamino]benzoic acid
Also Known As: Anthranilic acid,5-dimethoxybenzylidene]-|2-{[(e)-{4-[bis(2-chloroethyl)amino]-2,5-dimethoxyphenyl}methylidene]amino}benzoic acid|2-[[4-[bis(2-chloroethyl)amino]-2,5-dimethoxyphenyl]methylid|2-[[4-[bis(2-chloroethyl)amino]-2,5-dimethoxyphenyl]methylideneamino]benzoic acid|2-[(E)-({4-[Bis(2-chloroethyl)amino]-2,5-dimethoxyphenyl}methylidene)amino]benzoic acid|2-[[4-[bis(2-chloroethyl)amino]-2,5-dimethoxy-phenyl]methylideneamino]benzoic acid|2-{4-[bis-(2-chloro-ethyl)-amino]-2,5-dimethoxy-benzylideneamino}-benzoic acid
| Molecular Formula | C20H22Cl2N2O4 |
|---|---|
| Molecular Weight | 424.09567 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 424.09567 |
| Monoisotopic Mass | 424.09567 |
| Heavy Atoms | 28 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 2091-24-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C=NC2=CC=CC=C2C(=O)O)OC)N(CCCl)CCCl |
| InChIKey | FXNPLWOMAUFHNP-UHFFFAOYSA-N |
Product Overview
AC1Q5UTA (CAS 2091-24-9), with molecular formula C20H22Cl2N2O4 and molecular weight 424.09567 g/mol. IUPAC: 2-[[4-[bis(2-chloroethyl)amino]-2,5-dimethoxyphenyl]methylideneamino]benzoic acid.