Basic information
- Standard SMILES
CC(=O)NS(=O)(=O)c1cccc(Br)c1- InChIKey
PPFWKFSFOCRHOX-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO3S
- Average molar mass
- 278.13 g/mol
Names & identifiers
- Preferred name
- N-(3-bromobenzenesulfonyl)acetamide
- IUPAC
- N-(3-bromophenyl)sulfonylacetamide
Names & synonyms
N-(3-Bromobenzenesulfonyl)acetamide1248147-79-6RefChem:826225872-974-2N-(3-bromophenyl)sulfonylacetamideSCHEMBL1684516PPFWKFSFOCRHOX-UHFFFAOYSA-NYZB14779N-(3-bromophenylsulfonyl)-acetamideAKOS010465007EN300-269764G51372
Database identifiers
- CAS
1248147-79-6- PubChem CID
- 61216233
- EC Number
- 872-974-2
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 309
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
6 records
Linked notes
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