Basic information
- CAS
427886-21-3- Standard SMILES
COc1cc(B(O)O)cc(OC)c1Cl- InChIKey
YAWMKFIUWSYMGN-UHFFFAOYSA-N- Molecular formula
- C8H10BClO4
- Average molar mass
- 216.43 g/mol
- Monoisotopic mass
- 216.03606688
Names & identifiers
- Preferred name
- (4-Chloro-3,5-dimethoxyphenyl)boronic acid
- IUPAC
- (4-chloro-3,5-dimethoxyphenyl)boronic acid
- English name
- (4-Chloro-3,5-dimethoxyphenyl)boronic acid
- Molecular formula
- C8H10BClO4
- Molecular weight
- 216.43
Names & synonyms
(4-chloro-3,5-dimethoxyphenyl)boronic acid427886-21-3B-(4-Chloro-3,5-dimethoxyphenyl)boronic acidBoronic acid, (4-chloro-3,5-dimethoxyphenyl)-MFCD233795904-chloro-3,5-dimethoxyphenylboronic acidstarbld0017272SCHEMBL4109993DTXSID80626080YAWMKFIUWSYMGN-UHFFFAOYSA-NCS-29560G81504
Show more names
Boronic acid, B-(4-chloro-3,5-dimethoxyphenyl)-F572058
Database identifiers
- CAS
427886-21-3- PubChem CID
- 22485557
- DTXSID
DTXSID80626080
Properties
Computed structural properties
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 389.7 · 389.7±52.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 7.47 · 7.47±0.11(Predicted)
Chemistry & industry
Suppliers6 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
湖南氩氡医药科技有限公司13764359345 · [email protected]
常州捷展化工技术有限公司15861130028 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
9 records
Compound notes
Loading…