Basic information
- CAS
54948-27-5- Standard SMILES
O=C(NC=CP(=O)(N1CC1)N1CC1)Nc1ccc(Br)cc1- InChIKey
KZOLMYACEQVWMI-UHFFFAOYSA-N- Molecular formula
- C13H16BrN4O2P
- Average molar mass
- 371.17 g/mol
- Monoisotopic mass
- 370.01943
Names & identifiers
- Preferred name
- Urea, 1-(2-(bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-bromophenyl)-
- IUPAC
- 1-[2-[bis(aziridin-1-yl)phosphoryl]ethenyl]-3-(4-bromophenyl)urea
- English name
- Bis(1-aziridinyl)[2-[3-(4-bromophenyl)ureido]vinyl]phosphine oxide
- Molecular formula
- C13H16BrN4O2P
- Molecular weight
- 371.17
Names & synonyms
1-(2-(Bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-bromophenyl)urea54948-27-5Phosphine oxide, bis(1-aziridinyl)((3-(p-bromophenyl)ureido)vinyl)-Urea, 1-(2-(bis(1-aziridinyl)phosphinyl)vinyl)-3-(p-bromophenyl)-RefChem:387276DTXSID90970288DB-229988Bis(1-aziridinyl)[2-[3-(4-bromophenyl)ureido]vinyl]phosphine oxideN'-{2-[Bis(aziridin-1-yl)phosphoryl]ethen-1-yl}-N-(4-bromophenyl)carbamimidic acidN'-{2-[Bis(aziridin-1-yl)phosphoryl]ethenyl}-N-(4-bromophenyl)carbamimidic acid1-[2-[Bis(1-aziridinyl)phosphinyl]vinyl]-3-(p-bromophenyl)ureaUrea, N-[2-[bis(1-aziridinyl)phosphinyl]ethenyl]-N'-(4-bromophenyl)-
Database identifiers
- CAS
54948-27-5- PubChem CID
- 108293
- DTXSID
DTXSID90970288
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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