AE83205
167479-13-2 | Methyl 4-bromo-1H-indole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE83205
ChemicalName
Methyl 4-bromo-1H-indole-2-carboxylate
CasNumber
167479-13-2
MolecularFormula
C10H8BrNO2
MolecularWeight
254.08
MdlNumber
MFCD04966956
Smiles
COC(=O)c1cc2c([nH]1)cccc2Br
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AE83205
ChemicalName: Methyl 4-bromo-1H-indole-2-carboxylate
CasNumber: 167479-13-2
MolecularFormula: C10H8BrNO2
MolecularWeight: 254.08
MdlNumber: MFCD04966956
Smiles: COC(=O)c1cc2c([nH]1)cccc2Br
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AE83205
ChemicalName:
Methyl 4-bromo-1H-indole-2-carboxylate
CasNumber:
167479-13-2
MolecularFormula:
C10H8BrNO2
MolecularWeight:
254.08
MdlNumber:
MFCD04966956
Smiles:
COC(=O)c1cc2c([nH]1)cccc2Br
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
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Smiles: ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl.Cl
Complexity: __
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Smiles:
ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl.Cl
Complexity:
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HeavyAtomCount:
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Smiles: [Ir][Ir][Ir][Ir].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
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__
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Smiles:
[Ir][Ir][Ir][Ir].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
Complexity:
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Smiles: c1csc(c1)c1cnc[nH]1
Complexity: __
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HydrogenBondDonorCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
c1csc(c1)c1cnc[nH]1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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