AA18387
1174718-91-2 | 1-Acetylpyrrole-3-boronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA18387
ChemicalName
1-Acetylpyrrole-3-boronic acid, pinacol ester
CasNumber
1174718-91-2
MolecularFormula
C12H18BNO3
MolecularWeight
235.0872
MdlNumber
MFCD16036147
Smiles
CC(=O)n1ccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity
314
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
1
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CatalogNumber: AA18387
ChemicalName: 1-Acetylpyrrole-3-boronic acid, pinacol ester
CasNumber: 1174718-91-2
MolecularFormula: C12H18BNO3
MolecularWeight: 235.0872
MdlNumber: MFCD16036147
Smiles: CC(=O)n1ccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
CatalogNumber:
AA18387
ChemicalName:
1-Acetylpyrrole-3-boronic acid, pinacol ester
CasNumber:
1174718-91-2
MolecularFormula:
C12H18BNO3
MolecularWeight:
235.0872
MdlNumber:
MFCD16036147
Smiles:
CC(=O)n1ccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)C1Cc2c(N1C(=O)OCc1ccccc1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)C1Cc2c(N1C(=O)OCc1ccccc1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: AA18392
ChemicalName: 3-chloro-4-fluorobenzonitrile
CasNumber: 117482-84-5
MolecularFormula: C7H3ClFN
MolecularWeight: 155.5568
MdlNumber: MFCD00015431
Smiles: N#Cc1ccc(c(c1)Cl)F
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
CatalogNumber:
AA18392
ChemicalName:
3-chloro-4-fluorobenzonitrile
CasNumber:
117482-84-5
MolecularFormula:
C7H3ClFN
MolecularWeight:
155.5568
MdlNumber:
MFCD00015431
Smiles:
N#Cc1ccc(c(c1)Cl)F
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1nc(C)c(c(n1)C(F)(F)F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1nc(C)c(c(n1)C(F)(F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__