AI03457
957062-56-5 | 4-Bromo-1-(4-fluorophenyl)-1H-pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AI03457
ChemicalName
4-Bromo-1-(4-fluorophenyl)-1H-pyrazole
CasNumber
957062-56-5
MolecularFormula
C9H6BrFN2
MolecularWeight
241.0597
MdlNumber
MFCD09801028
Smiles
Fc1ccc(cc1)n1ncc(c1)Br
Complexity
171
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.7
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CatalogNumber: AI03457
ChemicalName: 4-Bromo-1-(4-fluorophenyl)-1H-pyrazole
CasNumber: 957062-56-5
MolecularFormula: C9H6BrFN2
MolecularWeight: 241.0597
MdlNumber: MFCD09801028
Smiles: Fc1ccc(cc1)n1ncc(c1)Br
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AI03457
ChemicalName:
4-Bromo-1-(4-fluorophenyl)-1H-pyrazole
CasNumber:
957062-56-5
MolecularFormula:
C9H6BrFN2
MolecularWeight:
241.0597
MdlNumber:
MFCD09801028
Smiles:
Fc1ccc(cc1)n1ncc(c1)Br
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.7
CatalogNumber: AI03458
ChemicalName: 4-(Ethoxymethoxy)phenylboronic acid
CasNumber: 957062-54-3
MolecularFormula: C9H13BO4
MolecularWeight: 196.0081
MdlNumber: MFCD09800866
Smiles: CCOCOc1ccc(cc1)B(O)O
Complexity: 146
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: __
CatalogNumber:
AI03458
ChemicalName:
4-(Ethoxymethoxy)phenylboronic acid
CasNumber:
957062-54-3
MolecularFormula:
C9H13BO4
MolecularWeight:
196.0081
MdlNumber:
MFCD09800866
Smiles:
CCOCOc1ccc(cc1)B(O)O
Complexity:
146
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
__
CatalogNumber: AI03459
ChemicalName: 5-(Ethoxycarbonyl)-2-methoxyphenylboronic acid
CasNumber: 957062-53-2
MolecularFormula: C10H13BO5
MolecularWeight: 224.0182
MdlNumber: MFCD09800892
Smiles: CCOC(=O)c1ccc(c(c1)B(O)O)OC
Complexity: 233
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: __
CatalogNumber:
AI03459
ChemicalName:
5-(Ethoxycarbonyl)-2-methoxyphenylboronic acid
CasNumber:
957062-53-2
MolecularFormula:
C10H13BO5
MolecularWeight:
224.0182
MdlNumber:
MFCD09800892
Smiles:
CCOC(=O)c1ccc(c(c1)B(O)O)OC
Complexity:
233
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCCCNC(=O)c1cccc(c1)B(O)O
Complexity: 238
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCCCNC(=O)c1cccc(c1)B(O)O
Complexity:
238
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__