AB50050
37687-18-6 | 1-(1-Methyl-1H-pyrazol-4-yl)ethanone
Manufacturer: A2B Chem
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CatalogNumber
AB50050
ChemicalName
1-(1-Methyl-1H-pyrazol-4-yl)ethanone
CasNumber
37687-18-6
MolecularFormula
C6H8N2O
MolecularWeight
124.1405
MdlNumber
MFCD00159640
Smiles
Cn1ncc(c1)C(=O)C
Complexity
124
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
-0.1
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CatalogNumber: AB50050
ChemicalName: 1-(1-Methyl-1H-pyrazol-4-yl)ethanone
CasNumber: 37687-18-6
MolecularFormula: C6H8N2O
MolecularWeight: 124.1405
MdlNumber: MFCD00159640
Smiles: Cn1ncc(c1)C(=O)C
Complexity: 124
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: -0.1
CatalogNumber:
AB50050
ChemicalName:
1-(1-Methyl-1H-pyrazol-4-yl)ethanone
CasNumber:
37687-18-6
MolecularFormula:
C6H8N2O
MolecularWeight:
124.1405
MdlNumber:
MFCD00159640
Smiles:
Cn1ncc(c1)C(=O)C
Complexity:
124
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NCCCC1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NCCCC1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC1(COC1)COC(=O)C(=C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC1(COC1)COC(=O)C(=C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB50053
ChemicalName: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one
CasNumber: 376584-62-2
MolecularFormula: C14H18BNO3
MolecularWeight: 259.1086
MdlNumber: MFCD11040393
Smiles: O=C1NCc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C
Complexity: 380
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB50053
ChemicalName:
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one
CasNumber:
376584-62-2
MolecularFormula:
C14H18BNO3
MolecularWeight:
259.1086
MdlNumber:
MFCD11040393
Smiles:
O=C1NCc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C
Complexity:
380
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
__