Basic information
- CAS
54948-20-8- Standard SMILES
O=C(N/C=C/P(=O)(Cl)Cl)Nc1ccc(Br)cc1- InChIKey
TZAGVWFNIVEUEW-AATRIKPKSA-N- Molecular formula
- C9H8BrCl2N2O2P
- Average molar mass
- 357.95 g/mol
- Monoisotopic mass
- 355.88838
Names & identifiers
- Preferred name
- Phosphonic dichloride, (2-(3-(p-bromophenyl)ureido)vinyl)-
- IUPAC
- 1-(4-bromophenyl)-3-[(E)-2-dichlorophosphorylethenyl]urea
Names & synonyms
Phosphonic dichloride, (2-(3-(p-bromophenyl)ureido)vinyl)-54948-20-8RefChem:1095206BRN 2868842(2-(3-(p-Bromophenyl)ureido)vinyl)phosphonic dichloride
Database identifiers
- CAS
54948-20-8- PubChem CID
- 6446151
- Nikkaji
- J92.133E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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