Basic information
- CAS
139233-21-9- Standard SMILES
O=C(Nc1nc2ccccc2s1)c1cccc(Br)c1- InChIKey
HNSMZZRBTBEMOV-UHFFFAOYSA-N- Molecular formula
- C14H9BrN2OS
- Average molar mass
- 333.2 g/mol
- Monoisotopic mass
- 331.9619
Names & identifiers
- Preferred name
- Benzamide, N-2-benzothiazolyl-3-bromo-
- IUPAC
- N-(1,3-benzothiazol-2-yl)-3-bromobenzamide
- English name
- N-1,3-benzothiazol-2-yl-3-bromobenzamide
- Molecular formula
- C14H9BrN2OS
- Molecular weight
- 333.2
Names & synonyms
139233-21-9Benzamide, N-2-benzothiazolyl-3-bromo-DTXSID00354378RefChem:322452DTXCID70305438N-(1,3-benzothiazol-2-yl)-3-bromobenzamideCambridge id 5190283Oprea1_214514Oprea1_476668CBDivE_010144STK071154AKOS000173878
Show more names
N-1,3-benzothiazol-2-yl-3-bromobenzamide
ST50002172N-benzothiazol-2-yl(3-bromophenyl)carboxamideAB00075064-01AG-690/36709013
Database identifiers
- CAS
139233-21-9- PubChem CID
- 770907
- DTXSID
DTXSID00354378
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Density
- 1.655 · 1.655±0.06 g/cm3(Predicted)
- pka
- 8.87 · 8.87±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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