3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one
Basic information
- CAS
5923-42-2- Standard SMILES
O=C(CCNc1cccc(Br)c1)c1cccs1- InChIKey
XGRRJKITUOWKNL-UHFFFAOYSA-N- Molecular formula
- C13H12BrNOS
- Average molar mass
- 310.21 g/mol
- Monoisotopic mass
- 308.9823
Names & identifiers
- Preferred name
- 3-(3-Bromoanilino)-1-thiophen-2-ylpropan-1-one
- IUPAC
- 3-(3-bromoanilino)-1-thiophen-2-ylpropan-1-one
Names & synonyms
5923-42-23-[(3-bromophenyl)amino]-1-(2-thienyl)-1-propanoneCBMicro_0483433-(3-bromoanilino)-1-thiophen-2-ylpropan-1-oneOprea1_3685153-(3-Bromoanilino)-1-(thiophen-2-yl)propan-1-oneDTXSID80974659AKOS024364325BIM-0048526.P001ST50996431AG-205/11957526SR-01000223408
Show more names
SR-01000223408-13-[(3-bromophenyl)amino]-1-(2-thienyl)propan-1-one
Database identifiers
- CAS
5923-42-2- PubChem CID
- 877290
- DTXSID
DTXSID80974659
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
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Compound notes
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