Basic information
- CAS
313527-46-7- Standard SMILES
Nc1ccc2oc(-c3ccccc3F)nc2c1- InChIKey
MHKZGGXTFFGCGC-UHFFFAOYSA-N- Molecular formula
- C13H9FN2O
- Average molar mass
- 228.22 g/mol
- Monoisotopic mass
- 228.06989108
Names & identifiers
- Preferred name
- 2-(2-Fluorophenyl)-1,3-benzoxazol-5-amine
- IUPAC
- 2-(2-fluorophenyl)-1,3-benzoxazol-5-amine
- English name
- 2-(2-Fluoro-phenyl)-benzooxazol-5-ylamine
- Molecular formula
- C13H9FN2O
- Molecular weight
- 228.22
Names & synonyms
2-(2-fluorophenyl)-1,3-benzoxazol-5-amine313527-46-72-(2-fluorophenyl)benzo[d]oxazol-5-amineMFCD00579068Oprea1_006713Oprea1_658880SCHEMBL2243392CHEMBL4782041DTXSID00352894NMA52746STK014329AKOS000108399
Show more names
AKOS BB-8052ASISCHEM T31023ART-CHEM-BB B025129TIMTEC-BB SBB009745LABOTEST-BB LT000892585-Benzoxazolamine, 2-(2-fluorophenyl)-2-(2-Fluoro-phenyl)-benzooxazol-5-ylamine
CCG-1090002-(2-fluorophenyl)benzoxazole-5-ylamineDA-07033EU-0041520ST50018622EN300-44091G58685SR-01000462049
Database identifiers
- CAS
313527-46-7- PubChem CID
- 735971
- DTXSID
DTXSID00352894- ChEMBL
CHEMBL4782041
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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