Basic information
- CAS
73387-70-9- Standard SMILES
ClCC[N+]12CC[N+](CCCl)(CC1)C2.O=C([O-])/C=C\C(=O)O- InChIKey
HKVBKOPISPWMSR-BTJKTKAUSA-M- Molecular formula
- C13H21Cl2N2O4+
- Average molar mass
- 340.2 g/mol
- Monoisotopic mass
- 339.0878375
Names & identifiers
- Preferred name
- Diazabicycloheptane derivative
- IUPAC
- 1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane;(Z)-4-hydroxy-4-oxobut-2-enoate
Names & synonyms
1, 1,4-bis(2-chloroethyl)-, (Z)-2-butenedioate (1:1)DIAZABICYCLOHEPTANE DERIVATIVENSC262664NSC262666NSC-262664NSC-2626661, 1,4-diazoniabicyclo[2.2.1]heptane deriv.1, 1,4-bis(2-chloroethyl)-,(Z)-2-butenedioate (1:2)2-Butenedioic acid, ion(1-), 1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane (2:1)
Database identifiers
- CAS
73387-70-9- PubChem CID
- 54599345
Properties
Computed structural properties
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 1
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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