o-Merphalan
2-amino-3-[2-[bis(2-chloroethyl)amino]phenyl]propanoic acid
| Molecular Formula | C13H18Cl2N2O2 |
|---|---|
| Molecular Weight | 305.2 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 66.6 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 304.07452 |
| Heavy Atoms | 19 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 342-95-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(C(=O)O)N)N(CCCl)CCCl |
| InChIKey | ZJHNCWIVJDCKSB-UHFFFAOYSA-N |
📖 Product Overview
o-Merphalan (CAS: 342-95-0) is a chemical compound with molecular formula C13H18Cl2N2O2 and molecular weight 305.2 g/mol. Its IUPAC systematic name is 2-amino-3-[2-[bis(2-chloroethyl)amino]phenyl]propanoic acid.
ZJHNCWIVJDCKSB-UHFFFAOYSA-N.
SMILES: C1=CC=C(C(=C1)CC(C(=O)O)N)N(CCCl)CCCl.
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