Basic information
- CAS
13909-11-0- Standard SMILES
O=NN(CCCl)C(=O)NC1CCCCC1Cl- InChIKey
AVQDABCAQFMRFT-UHFFFAOYSA-N- Molecular formula
- C9H15Cl2N3O2
- Average molar mass
- 268.14 g/mol
- Monoisotopic mass
- 267.0541321
Names & identifiers
- Preferred name
- Urea, N'-(2-chlorocyclohexyl)-N-(2-chloroethyl)-N-nitroso-, trans-
- IUPAC
- 3-(2-chlorocyclohexyl)-1-(2-chloroethyl)-1-nitrosourea
Names & synonyms
Urea, N'-(2-chlorocyclohexyl)-N-(2-chloroethyl)-N-nitroso-, trans-13909-12-1RefChem:1100806SRI 2559SRI 2636Urea, 3-(cis-2-chlorocyclohexyl)-1-(2-chloroethyl)-1-nitroso-Urea, 3-(trans-2-chlorocyclohexyl)-1-(2-chloroethyl)-1-nitroso-13909-11-0NSC 84954NSC 88,104AI3-52783AI3-52893
Show more names
Urea, 3-(2-chlorocyclohexyl)-1-(2-chloroethyl)-1-nitroso-, (E)-cis-3-(2-Chlorocyclohexyl)-1-(2-chloroethyl)-1-nitrosoureacis-N'-(2-Chlorocyclohexyl)-N-(2-chloroethyl)-N-nitrosourea(Z)-3-(2-Chlorocyclohexyl)-1-(2-chloroethyl)-1-nitrosoureatrans-3-(2-Chlorocyclohexyl)-1-(2-chloroethyl)-1-nitrosoureaUrea, 3-(2-chlorocyclohexyl)-1-(2-chloroethyl)-1-nitroso-, (Z)-Urea, 3-(2-chlorocyclohexyl)-1-(2-chloroethyl)-1-nitroso-, trans-Urea, N'-(2-chlorocyclohexyl)-N-(2-chloroethyl)-N-nitroso-, cis-
Database identifiers
- CAS
13909-11-0、13909-12-1- PubChem CID
- 98167
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Experimental & physicochemical properties
LogP2.73
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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