Basic information
- CAS
313527-41-2- Standard SMILES
Nc1ccc2oc(-c3cccc(F)c3)nc2c1- InChIKey
BSZCWDQTALYLKJ-UHFFFAOYSA-N- Molecular formula
- C13H9FN2O
- Average molar mass
- 228.22 g/mol
- Monoisotopic mass
- 228.06989108
Names & identifiers
- Preferred name
- 2-(3-Fluorophenyl)-5-benzoxazolamine
- IUPAC
- 2-(3-fluorophenyl)-1,3-benzoxazol-5-amine
- English name
- 2-(3-FLUORO-PHENYL)-BENZOOXAZOL-5-YLAMINE
- Molecular formula
- C13H9FN2O
- Molecular weight
- 228.22
Names & synonyms
313527-41-22-(3-Fluorophenyl)-5-benzoxazolamineRefChem:2515432-(3-fluorophenyl)-1,3-benzoxazol-5-amine5-Benzoxazolamine, 2-(3-fluorophenyl)-2-(3-fluorophenyl)benzo[d]oxazol-5-amine2-(3-Fluoro-phenyl)-benzooxazol-5-ylamineMFCD00579117Oprea1_136574Oprea1_518011SCHEMBL2246990DTXSID801290377
Show more names
AKOS BB-8055ASISCHEM T31027OTAVA-BB 1314942TIMTEC-BB SBB009747ART-CHEM-BB B025132LABOTEST-BB LT00143611[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]amine
ALBB-026750STK073518AKOS0001084102-(3-fluorophenyl)benzoxazole-5-ylamineLS-09151ST073242DB-086709AB00540826
Database identifiers
- CAS
313527-41-2- PubChem CID
- 736010
- DTXSID
DTXSID801290377
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
Chemistry & industry
Suppliers1 total
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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