Basic information
- CAS
349114-14-3- Standard SMILES
O=C(Nc1cccc(Br)c1)c1ccc2c(c1)OCO2- InChIKey
HVHDCHFQYKEWTM-UHFFFAOYSA-N- Molecular formula
- C14H10BrNO3
- Average molar mass
- 320.14 g/mol
- Monoisotopic mass
- 318.98441
Names & identifiers
- Preferred name
- N-(3-bromophenyl)-1,3-benzodioxole-5-carboxamide
- IUPAC
- N-(3-bromophenyl)-1,3-benzodioxole-5-carboxamide
- English name
- N-(3-bromophenyl)-1,3-benzodioxole-5-carboxamide
- Molecular formula
- C14H10BrNO3
- Molecular weight
- 320.14
Names & synonyms
N-(3-bromophenyl)-1,3-benzodioxole-5-carboxamide349114-14-3N-(3-bromophenyl)benzo[d][1,3]dioxole-5-carboxamideN-(3-BROMOPHENYL)-2H-1,3-BENZODIOXOLE-5-CARBOXAMIDECambridge id 5874638Oprea1_710320DTXSID30349974STK016276AKOS000168304ST043253DB-265715AB00099998-01
Show more names
1,3-Benzodioxole-5-carboxamide, N-(3-bromophenyl)-
AN-652/13034433SR-01000222499SR-01000222499-1Z27789055F2299-02972H-benzo[3,4-d]1,3-dioxolen-5-yl-N-(3-bromophenyl)carboxamide
Database identifiers
- CAS
349114-14-3- PubChem CID
- 669596
- DTXSID
DTXSID30349974
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 116 · 116-117 °C
- Boiling point
- 368.2 · 368.2±42.0 °C(Predicted)
- Density
- 1.636 · 1.636±0.06 g/cm3(Predicted)
- pka
- 12.84 · 12.84±0.70(Predicted)
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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