AD55018
1345471-61-5 | 1-Butyl-5-iodopyrazole
Manufacturer: A2B Chem
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CatalogNumber
AD55018
ChemicalName
1-Butyl-5-iodopyrazole
CasNumber
1345471-61-5
MolecularFormula
C7H11IN2
MolecularWeight
250.0801
MdlNumber
MFCD20441942
Smiles
CCCCn1nccc1I
Complexity
97.6
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AD55018
ChemicalName: 1-Butyl-5-iodopyrazole
CasNumber: 1345471-61-5
MolecularFormula: C7H11IN2
MolecularWeight: 250.0801
MdlNumber: MFCD20441942
Smiles: CCCCn1nccc1I
Complexity: 97.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AD55018
ChemicalName:
1-Butyl-5-iodopyrazole
CasNumber:
1345471-61-5
MolecularFormula:
C7H11IN2
MolecularWeight:
250.0801
MdlNumber:
MFCD20441942
Smiles:
CCCCn1nccc1I
Complexity:
97.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: AD55019
ChemicalName: 5-Iodo-1-isopropylpyrazole
CasNumber: 1345471-54-6
MolecularFormula: C6H9IN2
MolecularWeight: 236.0535
MdlNumber: MFCD20441939
Smiles: CC(n1nccc1I)C
Complexity: 95.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AD55019
ChemicalName:
5-Iodo-1-isopropylpyrazole
CasNumber:
1345471-54-6
MolecularFormula:
C6H9IN2
MolecularWeight:
236.0535
MdlNumber:
MFCD20441939
Smiles:
CC(n1nccc1I)C
Complexity:
95.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(Cn1nccc1I)C
Complexity: 106
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(Cn1nccc1I)C
Complexity:
106
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: AD55021
ChemicalName: 6-Bromo-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepine
CasNumber: 1345471-22-8
MolecularFormula: C11H13BrO2
MolecularWeight: 257.1237
MdlNumber: MFCD20441892
Smiles: Brc1cccc2c1OCC(CO2)(C)C
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
AD55021
ChemicalName:
6-Bromo-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepine
CasNumber:
1345471-22-8
MolecularFormula:
C11H13BrO2
MolecularWeight:
257.1237
MdlNumber:
MFCD20441892
Smiles:
Brc1cccc2c1OCC(CO2)(C)C
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
3.5