Basic information
- CAS
54340-56-6- Standard SMILES
O=NN(CCCl)C(=O)NCc1ccc(-c2ccc(CNC(=O)N(CCCl)N=O)cc2)cc1- InChIKey
WBBBFCSVHULAOX-UHFFFAOYSA-N- Molecular formula
- C20H22Cl2N6O4
- Average molar mass
- 481.3 g/mol
- Monoisotopic mass
- 480.1079586
Names & identifiers
- Preferred name
- Urea, 1,1'-(4,4'-biphenylylenedimethylene)bis(3-(2-chloroethyl)-3-nitroso-
- IUPAC
- 1-(2-chloroethyl)-3-[[4-[4-[[[2-chloroethyl(nitroso)carbamoyl]amino]methyl]phenyl]phenyl]methyl]-1-nitrosourea
Names & synonyms
54340-56-6Y3XFP4J4QJUrea, 1,1'-(4,4'-biphenylylenedimethylene)bis(3-(2-chloroethyl)-3-nitroso-NSC-116821Urea, N,N''-((1,1'-biphenyl)-4,4'-diylbis(methylene))bis(N'-(2-chloroethyl)-N'-nitroso-Urea, N,N''-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis[N'-(2-chloroethyl)-N'-nitroso-1-(2-chloroethyl)-3-[[4-[4-[[[2-chloroethyl(nitroso)carbamoyl]amino]methyl]phenyl]phenyl]methyl]-1-nitrosoureaNSC 116821NSC-11682111-(2-Chloroethyl)-3-((4-(4-(((2-chloroethyl(nitroso)carbamoyl)amino)methyl)phenyl)phenyl)methyl)-1-nitrosoureaNSC116821UNII-Y3XFP4J4QJ
Show more names
1,1'-(4,4'-Biphenylylenedimethylene)bis(3-(2-chloroethyl)-3-nitrosourea)DTXSID70202716N',N''-[[1,1'-Biphenyl]-4,4'-diylbis(methylene)]bis[N-(2-chloroethyl)-N-nitrosourea]Urea,N''-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis[N'-(2-chloroethyl)-N'-nitroso-
Database identifiers
- CAS
54340-56-6
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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