Basic information
- Standard SMILES
CS(=O)(=O)N(CCCl)N(C(=O)OCc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O- InChIKey
PFBJLTUOBQDXKF-UHFFFAOYSA-N- Molecular formula
- C12H16ClN3O8S2
- Average molar mass
- 429.9 g/mol
- Monoisotopic mass
- 429.0067345
Names & identifiers
- Preferred name
- 1,2-Bis(methylsulfonyl)-1-(2-chloroethyl)-2-[(4-nitrobenzyloxy)carbonyl]hydrazine
- IUPAC
- (4-nitrophenyl)methyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamate
Names & synonyms
CHEMBL170533SCHEMBL7066891PFBJLTUOBQDXKF-UHFFFAOYSA-N1,2-Bis(methylsulfonyl)-1-(2-chloroethyl)-2-[(4-nitrobenzyloxy)carbonyl]hydrazine
Database identifiers
- PubChem CID
- 9932392
- ChEMBL
CHEMBL170533- Nikkaji
- J1.012.012H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 702
Related reactions
2 records
Compound notes
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