Basic information
- CAS
893739-79-2- Standard SMILES
COc1ccccc1-c1ccc(N)c(F)c1- InChIKey
IEHQOFWOCJTJTC-UHFFFAOYSA-N- Molecular formula
- C13H12FNO
- Average molar mass
- 217.24 g/mol
- Monoisotopic mass
- 217.09029217
Names & identifiers
- Preferred name
- 3-Fluoro-2'-methoxy[1,1'-biphenyl]-4-amine
- IUPAC
- 2-fluoro-4-(2-methoxyphenyl)aniline
- English name
- 3-FLUORO-2'-METHOXY[1,1'-BIPHENYL]-4-AMINE
- Molecular formula
- C13H12FNO
- Molecular weight
- 217.24
Names & synonyms
3-Fluoro-2'-methoxy[1,1'-biphenyl]-4-amine893739-79-22-fluoro-4-(2-methoxyphenyl)aniline3-fluoro-2-methoxy[1,1-biphenyl]-4-amine3-fluoro-2'-methoxy-[1,1'-biphenyl]-4-amineAKOS004118994A1-105119AKOS BAR-1299[1,1'-Biphenyl]-4-amine, 3-fluoro-2'-methoxy-
Database identifiers
- CAS
893739-79-2- PubChem CID
- 20100068
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 302.9 · 302.9±27.0 °C(Predicted)
- Density
- 1.172 · 1.172±0.06 g/cm3(Predicted)
- pka
- 2.98 · 2.98±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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