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Basic information
- CAS
1007223-52-0- Standard SMILES
CCC1CCC(c2ccc(B(O)O)c(F)c2)CC1- InChIKey
KVIRUEJBQUKUHW-UHFFFAOYSA-N- Molecular formula
- C14H20BFO2
- Average molar mass
- 250.12 g/mol
- Monoisotopic mass
- 250.1540382
Names & identifiers
- Preferred name
- 4-(4-Ethylcyclohexyl)-2-fluorophenylboronic acid
- IUPAC
- [4-(4-ethylcyclohexyl)-2-fluorophenyl]boronic acid
- English name
- B-[4-(trans-4-Ethylcyclohexyl)-2-fluorophenyl]boronic acid
- Molecular formula
- C14H20BFO2
- Molecular weight
- 250.12
Names & synonyms
1007223-52-04-(4-ethylcyclohexyl)-2-fluorophenylboronic acid1215794-43-6[4-(4-ethylcyclohexyl)-2-fluorophenyl]boronic acidB-[4-(trans-4-Ethylcyclohexyl)-2-fluorophenyl]boronic acid(4-(4-Ethylcyclohexyl)-2-fluorophenyl)boronic acidBoronic acid, B-[4-(trans-4-ethylcyclohexyl)-2-fluorophenyl]-SCHEMBL2394485SCHEMBL30817700DTXSID801191907(4-(TRANS-4-ETHYLCYCLOHEXYL)-2-FLUOROPHENYL)BORONIC ACIDDB-215377
Show more names
2-Fluoro-4-(4-propylcyclohexyl)phenyl]boronicacid2-Fluoro-4-(trans-ethyl cyclohexyl)phenyl boronic aci2-Fluoro-4-(trans-ethyl cyclohexyl)phenyl boronic acid2-fluoro-4'-(trans-4-ethylcyclohexyl)phenyl-boronic acid
F86366[4-(4-Ethylcyclohexyl)-2-fluorophenyl]boronicacid4-(4-ethylcyclohexyl)-2-fluorobenzeneboronic acid{4-[(1r,4r)-4-Ethylcyclohexyl]-2-fluorophenyl}boronic acidRel-(4-((1r,4r)-4-ethylcyclohexyl)-2-fluorophenyl)boronic acid
Database identifiers
- CAS
1007223-52-0- PubChem CID
- 58444591
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 375.4 · 375.4±52.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 8.5 · 8.50±0.58(Predicted)
Chemistry & industry
Suppliers16 total
Hebei Maison Chemical Co.,Ltd.+86-008615511852758 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
石家庄晔晟化工科技有限公司18031147013 18031147013 · [email protected]
河北美星化工有限公司155-11852758; 18408670720 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
烟台显华科技集团股份有限公司18754503080 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
湖南嘉航医药科技有限公司85567275 18932438858 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
Yantai Fenglu Fine Chemical Co. LTD+86-+undefined-008618315825527 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
Related reactions
2 records
Compound notes
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