AD55019
1345471-54-6 | 5-Iodo-1-isopropylpyrazole
Manufacturer: A2B Chem
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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
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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
CatalogNumber: AD55022
ChemicalName: 1-Bromo-3-chloro-5-(2-methoxyethoxy)benzene
CasNumber: 1345471-20-6
MolecularFormula: C9H10BrClO2
MolecularWeight: 265.5315
MdlNumber: MFCD20441883
Smiles: COCCOc1cc(Cl)cc(c1)Br
Complexity: 146
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AD55022
ChemicalName:
1-Bromo-3-chloro-5-(2-methoxyethoxy)benzene
CasNumber:
1345471-20-6
MolecularFormula:
C9H10BrClO2
MolecularWeight:
265.5315
MdlNumber:
MFCD20441883
Smiles:
COCCOc1cc(Cl)cc(c1)Br
Complexity:
146
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
Xlogp3:
3.1