AE09981
107073-27-8 | 3-(Pyrrol-1-yl)thiophene-2-methanol
Manufacturer: A2B Chem
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CatalogNumber
AE09981
ChemicalName
3-(Pyrrol-1-yl)thiophene-2-methanol
CasNumber
107073-27-8
MolecularFormula
C9H9NOS
MolecularWeight
179.2389
MdlNumber
MFCD00052578
Smiles
OCc1sccc1n1cccc1
NscNumber
379415
Complexity
148
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.2
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CatalogNumber: AE09981
ChemicalName: 3-(Pyrrol-1-yl)thiophene-2-methanol
CasNumber: 107073-27-8
MolecularFormula: C9H9NOS
MolecularWeight: 179.2389
MdlNumber: MFCD00052578
Smiles: OCc1sccc1n1cccc1
NscNumber: 379415
Complexity: 148
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AE09981
ChemicalName:
3-(Pyrrol-1-yl)thiophene-2-methanol
CasNumber:
107073-27-8
MolecularFormula:
C9H9NOS
MolecularWeight:
179.2389
MdlNumber:
MFCD00052578
Smiles:
OCc1sccc1n1cccc1
NscNumber:
379415
Complexity:
148
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.2
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Smiles: CC(=O)Oc1cc(c2c3c1ccc1c3c(cc2)c(cc1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
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Smiles:
CC(=O)Oc1cc(c2c3c1ccc1c3c(cc2)c(cc1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
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Smiles: Fc1ccc(cc1N=C=S)Br
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Fc1ccc(cc1N=C=S)Br
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Smiles: N(=Cc1ccccc1)CC/N=C/c1ccccc1
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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:
N(=Cc1ccccc1)CC/N=C/c1ccccc1
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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