2-(3-Iodophenyl)-5-benzoxazolamine
Basic information
- CAS
54995-57-2- Standard SMILES
Nc1ccc2oc(-c3cccc(I)c3)nc2c1- InChIKey
NXDIGEICTIBJTM-UHFFFAOYSA-N- Molecular formula
- C13H9IN2O
- Average molar mass
- 336.13 g/mol
- Monoisotopic mass
- 335.97596
Names & identifiers
- Preferred name
- 2-(3-Iodophenyl)-5-benzoxazolamine
- IUPAC
- 2-(3-iodophenyl)-1,3-benzoxazol-5-amine
- English name
- 2-(3-Iodo-phenyl)-benzooxazol-5-ylamine
- Molecular formula
- C13H9IN2O
- Molecular weight
- 336.13
Names & synonyms
54995-57-22-(3-Iodophenyl)-5-benzoxazolamineRefChem:2515842-(3-iodophenyl)-1,3-benzoxazol-5-amine2-(3-iodophenyl)benzo[d]oxazol-5-amineMFCD004774662-(3-iodophenyl)benzoxazole-5-ylamine5-Benzoxazolamine, 2-(3-iodophenyl)-Cambridge id 5250073CBDivE_011347DTXSID501298215ALBB-026745
Show more names
AKOS BB-8058ASISCHEM T31030TIMTEC-BB SBB001374ART-CHEM-BB B0251352-(3-Iodo-phenyl)-benzooxazol-5-ylamine[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amine
BBL000266SBB001374STK345445AKOS000108422ST013896VS-00534CS-0313483EU-0033686
Database identifiers
- CAS
54995-57-2- PubChem CID
- 721876
- DTXSID
DTXSID501298215
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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