AD00406
934-07-6 | Methyl 5-bromo-1H-pyrrole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD00406
ChemicalName
Methyl 5-bromo-1H-pyrrole-2-carboxylate
CasNumber
934-07-6
MolecularFormula
C6H6BrNO2
MolecularWeight
204.0213
MdlNumber
MFCD09801030
Smiles
COC(=O)c1ccc([nH]1)Br
Complexity
140
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AD00406
ChemicalName: Methyl 5-bromo-1H-pyrrole-2-carboxylate
CasNumber: 934-07-6
MolecularFormula: C6H6BrNO2
MolecularWeight: 204.0213
MdlNumber: MFCD09801030
Smiles: COC(=O)c1ccc([nH]1)Br
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AD00406
ChemicalName:
Methyl 5-bromo-1H-pyrrole-2-carboxylate
CasNumber:
934-07-6
MolecularFormula:
C6H6BrNO2
MolecularWeight:
204.0213
MdlNumber:
MFCD09801030
Smiles:
COC(=O)c1ccc([nH]1)Br
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: C1CN=C(N1)C1=NCCN1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
C1CN=C(N1)C1=NCCN1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: OC(=O)c1cnc(nc1)c1cccnc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)c1cnc(nc1)c1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)[O-].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)[O-].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__