Basic information
- CAS
2377611-41-9- Standard SMILES
COc1ccc(C=O)c(F)c1B(O)O- InChIKey
MUEZDTYAMBZQNF-UHFFFAOYSA-N- Molecular formula
- C8H8BFO4
- Average molar mass
- 197.96 g/mol
- Monoisotopic mass
- 198.0499671
Names & identifiers
- Preferred name
- (2-Fluoro-3-formyl-6-methoxyphenyl)boronic acid
- IUPAC
- (2-fluoro-3-formyl-6-methoxyphenyl)boronic acid
- English name
- (2-Fluoro-3-formyl-6-methoxyphenyl)boronic acid
- Molecular formula
- C8H8BFO4
- Molecular weight
- 197.96
Names & synonyms
2377611-41-9(2-Fluoro-3-formyl-6-methoxyphenyl)boronic acid2-Fluoro-3-formyl-6-methoxyphenylboronic acidMFCD32065671CS-0177283H73591(2-fluoro-3-formyl-6-methoxy-phenyl)boronic acidF694354
Database identifiers
- CAS
2377611-41-9- PubChem CID
- 155892099
Properties
Computed structural properties
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 397.4 · 397.4±52.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 7.65 · 7.65±0.58(Predicted)
- 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
Suppliers7 total
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
南京代盟化工有限公司02566880956 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Tianjin Xinghan Biotechnology Co., Ltd+86-18698089028 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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