AC94814
957062-81-6 | 4-Bromo-1-(2-fluorophenyl)-1H-pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AC94814
ChemicalName
4-Bromo-1-(2-fluorophenyl)-1H-pyrazole
CasNumber
957062-81-6
MolecularFormula
C9H6BrFN2
MolecularWeight
241.0597
MdlNumber
MFCD09878403
Smiles
Brc1cnn(c1)c1ccccc1F
Complexity
179
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.7
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CatalogNumber: AC94814
ChemicalName: 4-Bromo-1-(2-fluorophenyl)-1H-pyrazole
CasNumber: 957062-81-6
MolecularFormula: C9H6BrFN2
MolecularWeight: 241.0597
MdlNumber: MFCD09878403
Smiles: Brc1cnn(c1)c1ccccc1F
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AC94814
ChemicalName:
4-Bromo-1-(2-fluorophenyl)-1H-pyrazole
CasNumber:
957062-81-6
MolecularFormula:
C9H6BrFN2
MolecularWeight:
241.0597
MdlNumber:
MFCD09878403
Smiles:
Brc1cnn(c1)c1ccccc1F
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.7
CatalogNumber: AC94815
ChemicalName: 3-(2-Ethoxy-2-oxoethoxy)phenylboronic acid
CasNumber: 957062-63-4
MolecularFormula: C10H13BO5
MolecularWeight: 224.0182
MdlNumber: MFCD09878321
Smiles: CCOC(=O)COc1cccc(c1)B(O)O
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 6
Xlogp3: __
CatalogNumber:
AC94815
ChemicalName:
3-(2-Ethoxy-2-oxoethoxy)phenylboronic acid
CasNumber:
957062-63-4
MolecularFormula:
C10H13BO5
MolecularWeight:
224.0182
MdlNumber:
MFCD09878321
Smiles:
CCOC(=O)COc1cccc(c1)B(O)O
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
6
Xlogp3:
__
CatalogNumber: AC94816
ChemicalName: 4-(2-Nitrophenoxy)phenylboronic acid
CasNumber: 957062-62-3
MolecularFormula: C12H10BNO5
MolecularWeight: 259.0225
MdlNumber: MFCD09878332
Smiles: OB(c1ccc(cc1)Oc1ccccc1[N+](=O)[O-])O
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AC94816
ChemicalName:
4-(2-Nitrophenoxy)phenylboronic acid
CasNumber:
957062-62-3
MolecularFormula:
C12H10BNO5
MolecularWeight:
259.0225
MdlNumber:
MFCD09878332
Smiles:
OB(c1ccc(cc1)Oc1ccccc1[N+](=O)[O-])O
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: AC94817
ChemicalName: 4-Bromo-1-butyl-1H-pyrazole
CasNumber: 957062-61-2
MolecularFormula: C7H11BrN2
MolecularWeight: 203.0796
MdlNumber: MFCD09801022
Smiles: CCCCn1cc(cn1)Br
Complexity: 97.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AC94817
ChemicalName:
4-Bromo-1-butyl-1H-pyrazole
CasNumber:
957062-61-2
MolecularFormula:
C7H11BrN2
MolecularWeight:
203.0796
MdlNumber:
MFCD09801022
Smiles:
CCCCn1cc(cn1)Br
Complexity:
97.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1