AD29810
1334500-09-2 | 3-Iodo-1-propylpyrazole
Manufacturer: A2B Chem
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CatalogNumber
AD29810
ChemicalName
3-Iodo-1-propylpyrazole
CasNumber
1334500-09-2
MolecularFormula
C6H9IN2
MolecularWeight
236.0535
MdlNumber
MFCD20231488
Smiles
CCCn1ccc(n1)I
Complexity
87.1
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
1
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AD29810
ChemicalName: 3-Iodo-1-propylpyrazole
CasNumber: 1334500-09-2
MolecularFormula: C6H9IN2
MolecularWeight: 236.0535
MdlNumber: MFCD20231488
Smiles: CCCn1ccc(n1)I
Complexity: 87.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AD29810
ChemicalName:
3-Iodo-1-propylpyrazole
CasNumber:
1334500-09-2
MolecularFormula:
C6H9IN2
MolecularWeight:
236.0535
MdlNumber:
MFCD20231488
Smiles:
CCCn1ccc(n1)I
Complexity:
87.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(cc1)c1ccc(cc1)C(=O)N1CCCCC1
Complexity: 335
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(cc1)c1ccc(cc1)C(=O)N1CCCCC1
Complexity:
335
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: AD29812
ChemicalName: [3-(3-cyanophenyl)phenyl]acetic acid
CasNumber: 1334500-02-5
MolecularFormula: C15H11NO2
MolecularWeight: 237.2533
MdlNumber: MFCD05981177
Smiles: N#Cc1cccc(c1)c1cccc(c1)CC(=O)O
Complexity: 344
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AD29812
ChemicalName:
[3-(3-cyanophenyl)phenyl]acetic acid
CasNumber:
1334500-02-5
MolecularFormula:
C15H11NO2
MolecularWeight:
237.2533
MdlNumber:
MFCD05981177
Smiles:
N#Cc1cccc(c1)c1cccc(c1)CC(=O)O
Complexity:
344
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: AD29813
ChemicalName: 3-Bromocatechol 1,1-cyclopropanemethanol cyclic ether
CasNumber: 1334499-94-3
MolecularFormula: C11H11BrO2
MolecularWeight: 255.1078
MdlNumber: MFCD20231462
Smiles: Brc1cccc2c1OCC1(CO2)CC1
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
AD29813
ChemicalName:
3-Bromocatechol 1,1-cyclopropanemethanol cyclic ether
CasNumber:
1334499-94-3
MolecularFormula:
C11H11BrO2
MolecularWeight:
255.1078
MdlNumber:
MFCD20231462
Smiles:
Brc1cccc2c1OCC1(CO2)CC1
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
2.9