Basic information
- CAS
858523-47-4- Standard SMILES
Cc1cc(-n2cccn2)ccc1B(O)O- InChIKey
URUFJWIDOGVQHL-UHFFFAOYSA-N- Molecular formula
- C10H11BN2O2
- Average molar mass
- 202.02 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-4-(pyrazol-1-yl)phenylboronic acid
- IUPAC
- (2-methyl-4-pyrazol-1-ylphenyl)boronic acid
- English name
- 2-Methyl-4-(1H-pyrazol-1-yl)phenylboronic acid
- Molecular formula
- C10H11BN2O2
- Molecular weight
- 202.02
Names & synonyms
858523-47-42-methyl-4-(pyrazol-1-yl)phenylboronic acidBoronic acid, [2-methyl-4-(1H-pyrazol-1-yl)phenyl]-2-Methyl-4-(1H-pyrazol-1-yl)phenylboronic acid(2-METHYL-4-(1H-PYRAZOL-1-YL)PHENYL)BORONIC ACIDMFCD23379609[2-methyl-4-(1H-pyrazol-1-yl)phenyl]boronic acidSCHEMBL3465305URUFJWIDOGVQHL-UHFFFAOYSA-NAT22790CS-34362CS-0189107
Show more names
(2-methyl-4-pyrazol-1-ylphenyl)boronic acid(2-methyl-4-pyrazol-1-yl-phenyl)boronic acidBoronic acid, B-[2-methyl-4-(1H-pyrazol-1-yl)phenyl]-
Database identifiers
- CAS
858523-47-4
Properties
Computed structural properties
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 393.8 · 393.8±52.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 8.47 · 8.47±0.58(Predicted)
Chemistry & industry
Suppliers5 total
上海华思格医药科技有限公司13611612777 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
济南鑫宏泰化学有限公司13000000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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