p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)-
Basic information
- CAS
19768-76-4- Standard SMILES
Cc1ccc(P(=O)(O)O)cc1N(CCCl)CCCl- InChIKey
BIOHVRABGYPFNT-UHFFFAOYSA-N- Molecular formula
- C11H16Cl2NO3P
- Average molar mass
- 312.13 g/mol
- Monoisotopic mass
- 311.0244858
Names & identifiers
- Preferred name
- p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)-
- IUPAC
- [3-[bis(2-chloroethyl)amino]-4-methylphenyl]phosphonic acid
- English name
- [3-[Bis(2-chloroethyl)amino]-4-methylphenyl]phosphonic acid
- Molecular formula
- C11H16Cl2NO3P
- Molecular weight
- 312.13
Names & synonyms
19768-76-4BRN 3098517p-Toluenephosphonic acid, 3-(bis(2-chloroethyl)amino)-3-(Bis(2-chloroethyl)amino)-p-toluenephosphonic acidDTXSID60173461RefChem:367761DTXCID6095952{3-[bis(2-chloroethyl)amino]-4-methylphenyl}phosphonic acid[3-[bis(2-chloroethyl)amino]-4-methylphenyl]phosphonic acid(3-(Bis(2-chloroethyl)amino)-4-methylphenyl)phosphonic acidPhosphonic acid, [3-[bis(2-chloroethyl)amino]-4-methylphenyl]- (9CI)
Database identifiers
- CAS
19768-76-4- PubChem CID
- 209356
- DTXSID
DTXSID60173461- Nikkaji
- J154.042D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
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Related reactions
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Compound notes
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