Hydroquinone mustard
Basic information
- CAS
4420-79-5- Standard SMILES
Oc1cc(CN(CCCl)CCCl)c(O)cc1CN(CCCl)CCCl- InChIKey
QWFHTWGSBNHWBX-UHFFFAOYSA-N- Molecular formula
- C16H24Cl4N2O2
- Average molar mass
- 418.2 g/mol
- Monoisotopic mass
- 416.059189
Names & identifiers
- Preferred name
- Hydroquinone mustard
- IUPAC
- 2,5-bis[bis(2-chloroethyl)aminomethyl]benzene-1,4-diol
Names & synonyms
Hydroquinone mustardWeatherbee mustard4420-79-5CWM 97ASKI 23325NSC 18321BRN 2888141UNII-16838XB749NSC-183212,5-Bis(bis-(2-chloroethyl)aminomethyl)hydroquinone2,5-Bis[[bis(2-chloroethyl)amino]methyl]hydroquinone16838XB749
Show more names
4-13-00-02669 (Beilstein Handbook Reference)1,4-Benzenediol, 2,5-bis((bis(2-chloroethyl)amino)methyl)-Hydroquinone, 2,5-bis((bis(2-chloroethyl)amino)methyl)-2,5-BIS((BIS(2-CHLOROETHYL)AMINO)METHYL)HYDROQUINONERefChem:2011831,4-Benzenediol, 2,5-bis((bis(2-chloroethyl)amino)methyl)-(9CI)2,5-bis[bis(2-chloroethyl)aminomethyl]benzene-1,4-diolorb1695204
Database identifiers
- CAS
4420-79-5- PubChem CID
- 78134
- UNII
- 16838XB749
- Nikkaji
- J54.018H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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