Cyclohexanecarboxylic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, (Z)-
Basic information
- CAS
61137-60-8- Standard SMILES
O=NN(CCCl)C(=O)NC1CCCC(C(=O)O)C1- InChIKey
JGNCPDIXBOCXTN-UHFFFAOYSA-N- Molecular formula
- C10H16ClN3O4
- Average molar mass
- 277.7 g/mol
- Monoisotopic mass
- 277.0829337
Names & identifiers
- Preferred name
- Cyclohexanecarboxylic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, (Z)-
- IUPAC
- 3-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylic acid
Names & synonyms
61137-60-8cis-3-(2-(2-Chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acidCyclohexanecarboxylic acid, 3-(3-(2-chloroethyl)-3-nitrosoureido)-, (Z)-CHEMBL273983DTXSID2013849863-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylic acidNSC 163469
Database identifiers
- CAS
61137-60-8- PubChem CID
- 99008
- DTXSID
DTXSID201384986- ChEMBL
CHEMBL273983
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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