Basic information
- CAS
17641-04-2- Standard SMILES
O=C(CI)Nc1ccc(Br)cc1- InChIKey
KZEZEXWEHMUXPI-UHFFFAOYSA-N- Molecular formula
- C8H7BrINO
- Average molar mass
- 339.96 g/mol
- Monoisotopic mass
- 338.87557
Names & identifiers
- Preferred name
- N-(4-Bromophenyl)-2-iodoacetamide
- IUPAC
- N-(4-bromophenyl)-2-iodoacetamide
- English name
- N-(4-Bromophenyl)-2-iodoacetamide
- Molecular formula
- C8H7BrINO
- Molecular weight
- 339.96
Names & synonyms
N-(4-bromophenyl)-2-iodoacetamide17641-04-2ACETANILIDE, 4'-BROMO-2-IODO-Acetamide, N-(4-bromophenyl)-2-iodo-PHR8V58CAZNSC-151224DTXSID10170127RefChem:1091251DTXCID50926184'-Bromo-2-iodoacetanilideWLN: I1VMR DENSC 151224
Show more names
BRN 2832521NSC151224UNII-PHR8V58CAZSCHEMBL5597893AKOS014116754
Database identifiers
- CAS
17641-04-2- PubChem CID
- 28665
- DTXSID
DTXSID10170127- UNII
- PHR8V58CAZ
- Nikkaji
- J54.141I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 179 · 179-180 °C
- Boiling point
- 419.1 · 419.1±30.0 °C(Predicted)
- Density
- 2.158 · 2.158±0.06 g/cm3(Predicted)
- pka
- 12.02 · 12.02±0.70(Predicted)
- FDA UNII
- 8 V58CAZ · PHR8V58CAZ
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
赛纳斯特化学（欢迎点击联系）021-60343070
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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