Malononitrile mustard
2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]propanedinitrile
| Molecular Formula | C14H13Cl2N3 |
|---|---|
| Molecular Weight | 294.2 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.8 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.04865 |
| Heavy Atoms | 19 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 4213-30-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C#N)N(CCCl)CCCl |
| InChIKey | GSEISJCBWGWLDH-UHFFFAOYSA-N |
📖 Product Overview
Malononitrile mustard (CAS: 4213-30-3) is a chemical compound with molecular formula C14H13Cl2N3 and molecular weight 294.2 g/mol. Its IUPAC systematic name is 2-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]propanedinitrile.
GSEISJCBWGWLDH-UHFFFAOYSA-N.
SMILES: C1=CC(=CC=C1C=C(C#N)C#N)N(CCCl)CCCl.
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