AA55065
1220219-11-3 | 3-Cyano-4-methylphenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA55065
ChemicalName
3-Cyano-4-methylphenylboronic acid, pinacol ester
CasNumber
1220219-11-3
MolecularFormula
C14H18BNO2
MolecularWeight
243.10922
MdlNumber
MFCD18087706
Smiles
N#Cc1cc(ccc1C)B1OC(C(O1)(C)C)(C)C
Complexity
355
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
1
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CatalogNumber: AA55065
ChemicalName: 3-Cyano-4-methylphenylboronic acid, pinacol ester
CasNumber: 1220219-11-3
MolecularFormula: C14H18BNO2
MolecularWeight: 243.10922
MdlNumber: MFCD18087706
Smiles: N#Cc1cc(ccc1C)B1OC(C(O1)(C)C)(C)C
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
CatalogNumber:
AA55065
ChemicalName:
3-Cyano-4-methylphenylboronic acid, pinacol ester
CasNumber:
1220219-11-3
MolecularFormula:
C14H18BNO2
MolecularWeight:
243.10922
MdlNumber:
MFCD18087706
Smiles:
N#Cc1cc(ccc1C)B1OC(C(O1)(C)C)(C)C
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNC(=O)CCC1C(=NNC1=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNC(=O)CCC1C(=NNC1=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: AA55068
ChemicalName: 2'-Fluoro-4'-(trifluoromethyl)acetophenone
CasNumber: 122023-29-4
MolecularFormula: C9H6F4O
MolecularWeight: 206.137
MdlNumber: MFCD00061247
Smiles: CC(=O)c1ccc(cc1F)C(F)(F)F
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
CatalogNumber:
AA55068
ChemicalName:
2'-Fluoro-4'-(trifluoromethyl)acetophenone
CasNumber:
122023-29-4
MolecularFormula:
C9H6F4O
MolecularWeight:
206.137
MdlNumber:
MFCD00061247
Smiles:
CC(=O)c1ccc(cc1F)C(F)(F)F
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H]1CC=C[C@@H]1N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H]1CC=C[C@@H]1N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__