2-[Bis(2-chloroethyl)amino-(2-hydroxyphenoxy)boranyl]oxyphenol
Basic information
- CAS
23068-75-9- Standard SMILES
Oc1ccccc1OB(Oc1ccccc1O)N(CCCl)CCCl- InChIKey
XLRYPVUBNYYCQK-UHFFFAOYSA-N- Molecular formula
- C16H18BCl2NO4
- Average molar mass
- 370 g/mol
- Monoisotopic mass
- 369.0705936
Names & identifiers
- Preferred name
- 2-[Bis(2-chloroethyl)amino-(2-hydroxyphenoxy)boranyl]oxyphenol
- IUPAC
- 2-[bis(2-chloroethyl)amino-(2-hydroxyphenoxy)boranyl]oxyphenol
Names & synonyms
23068-75-92-[bis(2-chloroethyl)amino-(2-hydroxyphenoxy)boranyl]oxyphenolNSC110789SCHEMBL1158264Borane, [bis(2-chloroethyl)amino]bis(o-hydroxyphenoxy)-DTXSID00296683NSC-110789Phenol,2'-[[[bis(2-chloroethyl)amino]borylene]bis(oxy)]bis-
Database identifiers
- CAS
23068-75-9- PubChem CID
- 269594
- DTXSID
DTXSID00296683
Properties
Computed structural properties
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…