Basic information
- CAS
76554-16-0- Standard SMILES
CC/C(=C(/CC)c1ccc(O)c(N(CCCl)CCCl)c1)c1ccc(O)c(N(CCCl)CCCl)c1- InChIKey
RAFJTLRFHUODPL-QURGRASLSA-N- Molecular formula
- C26H34Cl4N2O2
- Average molar mass
- 548.4 g/mol
- Monoisotopic mass
- 546.137439
Names & identifiers
- Preferred name
- 2-[bis(2-chloroethyl)amino]-4-[(E)-4-[3-[bis(2-chloroethyl)amino]-4-hydroxyphenyl]hex-3-en-3-yl]phenol
- IUPAC
- 2-[bis(2-chloroethyl)amino]-4-[(E)-4-[3-[bis(2-chloroethyl)amino]-4-hydroxyphenyl]hex-3-en-3-yl]phenol
Names & synonyms
NSC27033176554-16-0DTXSID80424801NSC-2703314,4'-[(3E)-Hex-3-ene-3,4-diyl]bis{2-[bis(2-chloroethyl)amino]phenol}
Database identifiers
- CAS
76554-16-0- PubChem CID
- 6510941
- DTXSID
DTXSID80424801
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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