AD63477
1133116-27-4 | 5-Bromo-1-(4-methoxybenzyl)pyrrole-2-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AD63477
ChemicalName
5-Bromo-1-(4-methoxybenzyl)pyrrole-2-carbaldehyde
CasNumber
1133116-27-4
MolecularFormula
C13H12BrNO2
MolecularWeight
294.1439
MdlNumber
MFCD11855943
Smiles
COc1ccc(cc1)Cn1c(Br)ccc1C=O
Complexity
254
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
RotatableBondCount
4
Xlogp3
3
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CatalogNumber: AD63477
ChemicalName: 5-Bromo-1-(4-methoxybenzyl)pyrrole-2-carbaldehyde
CasNumber: 1133116-27-4
MolecularFormula: C13H12BrNO2
MolecularWeight: 294.1439
MdlNumber: MFCD11855943
Smiles: COc1ccc(cc1)Cn1c(Br)ccc1C=O
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
Xlogp3: 3
CatalogNumber:
AD63477
ChemicalName:
5-Bromo-1-(4-methoxybenzyl)pyrrole-2-carbaldehyde
CasNumber:
1133116-27-4
MolecularFormula:
C13H12BrNO2
MolecularWeight:
294.1439
MdlNumber:
MFCD11855943
Smiles:
COc1ccc(cc1)Cn1c(Br)ccc1C=O
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CCN(CC1)c1ccc2c(c1[N+](=O)[O-])cccn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC1CCN(CC1)c1ccc2c(c1[N+](=O)[O-])cccn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Brc1ccc2c(c1)ccc(c2)c1nnc(o1)C
Complexity: 276
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Brc1ccc2c(c1)ccc(c2)c1nnc(o1)C
Complexity:
276
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8
CatalogNumber: __
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MolecularFormula: __
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MdlNumber: __
Smiles: Fc1cc(Br)c(c2c1nccc2)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
Fc1cc(Br)c(c2c1nccc2)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__