Basic information
- CAS
91687-65-9- Standard SMILES
CC(NC(=O)CCl)c1ccc(Br)cc1- InChIKey
QOVVMRZOAXDWMK-UHFFFAOYSA-N- Molecular formula
- C10H11BrClNO
- Average molar mass
- 276.56 g/mol
- Monoisotopic mass
- 274.97125
Names & identifiers
- Preferred name
- N-[1-(4-Bromophenyl)ethyl]-2-chloroacetamide
- IUPAC
- N-[1-(4-bromophenyl)ethyl]-2-chloroacetamide
- English name
- N-[1-(4-Bromophenyl)ethyl]-2-chloroacetamide
- Molecular formula
- C10H11BrClNO
- Molecular weight
- 276.56
Names & synonyms
N-[1-(4-Bromophenyl)ethyl]-2-chloroacetamide91687-65-9N-(1-(4-Bromophenyl)ethyl)-2-chloroacetamideMFCD02612739Acetamide, N-[1-(4-bromophenyl)ethyl]-2-chloro-N-[(4-bromophenyl)ethyl]-2-chloroacetamideDTXSID50347114QOVVMRZOAXDWMK-UHFFFAOYSA-NALBB-026038SBB072814AKOS000117570AKOS016874500
Show more names
NCGC00661473-01LS-08798CS-0230069ST45029281EN300-10216G29406N-[1-(4-bromophenyl)ethyl]-2-chloro-acetamideN-[1-(4-Bromophenyl)ethyl]-2-chloroacetamide #
Database identifiers
- CAS
91687-65-9- PubChem CID
- 618032
- DTXSID
DTXSID50347114
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 426.6 · 426.6±35.0 °C(Predicted)
- Density
- 1.459 · 1.459±0.06 g/cm3(Predicted)
- pka
- 13.28 · 13.28±0.46(Predicted)
Chemistry & industry
Suppliers6 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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