Basic information
- CAS
97162-99-7- Standard SMILES
O=C(Nc1ccc(Br)cc1)N(O)C1CCOP(=O)(N(CCCl)CCCl)N1- InChIKey
QFZCQXSJDLVPCY-UHFFFAOYSA-N- Molecular formula
- C14H20BrCl2N4O4P
- Average molar mass
- 490.1 g/mol
- Monoisotopic mass
- 487.97826
Names & identifiers
- Preferred name
- Urea, N-(2-(bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N'-(4-bromophenyl)-N-hydroxy-, P-oxide
- IUPAC
- 1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]-3-(4-bromophenyl)-1-hydroxyurea
Names & synonyms
97162-99-7Urea, N-(2-(bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)-N'-(4-bromophenyl)-N-hydroxy-, P-oxideRefChem:387919SCHEMBL10909426DTXSID90914086N-{2-[Bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda~5~-oxazaphosphinan-4-yl}-N'-(4-bromophenyl)-N-hydroxyurea
Database identifiers
- CAS
97162-99-7- PubChem CID
- 13770943
- DTXSID
DTXSID90914086
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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