AF68193
33515-62-7 | 4-Iodo-1h-pyrrole-2-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AF68193
ChemicalName
4-Iodo-1h-pyrrole-2-carbaldehyde
CasNumber
33515-62-7
MolecularFormula
C5H4INO
MolecularWeight
220.9958
MdlNumber
MFCD03931537
Smiles
Ic1cc([nH]c1)C=O
Complexity
96.4
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AF68193
ChemicalName: 4-Iodo-1h-pyrrole-2-carbaldehyde
CasNumber: 33515-62-7
MolecularFormula: C5H4INO
MolecularWeight: 220.9958
MdlNumber: MFCD03931537
Smiles: Ic1cc([nH]c1)C=O
Complexity: 96.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AF68193
ChemicalName:
4-Iodo-1h-pyrrole-2-carbaldehyde
CasNumber:
33515-62-7
MolecularFormula:
C5H4INO
MolecularWeight:
220.9958
MdlNumber:
MFCD03931537
Smiles:
Ic1cc([nH]c1)C=O
Complexity:
96.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cncc2c1cccc2
Complexity: 149
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cncc2c1cccc2
Complexity:
149
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: AF68195
ChemicalName: 5,5-Bis(bromomethyl)-2-phenyl-1,3-dioxane
CasNumber: 3733-29-7
MolecularFormula: C12H14Br2O2
MolecularWeight: 350.0464
MdlNumber: MFCD09867296
Smiles: BrCC1(CBr)COC(OC1)c1ccccc1
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AF68195
ChemicalName:
5,5-Bis(bromomethyl)-2-phenyl-1,3-dioxane
CasNumber:
3733-29-7
MolecularFormula:
C12H14Br2O2
MolecularWeight:
350.0464
MdlNumber:
MFCD09867296
Smiles:
BrCC1(CBr)COC(OC1)c1ccccc1
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)CNCCC2=O.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)CNCCC2=O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__