AB33615
290306-56-8 | 2-Bromo-n-(p-toluenesulfonyl)pyrrole
Manufacturer: A2B Chem
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CatalogNumber
AB33615
ChemicalName
2-Bromo-n-(p-toluenesulfonyl)pyrrole
CasNumber
290306-56-8
MolecularFormula
C11H10BrNO2S
MolecularWeight
300.1716
MdlNumber
MFCD07364061
Smiles
Cc1ccc(cc1)S(=O)(=O)n1cccc1Br
Complexity
330
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AB33615
ChemicalName: 2-Bromo-n-(p-toluenesulfonyl)pyrrole
CasNumber: 290306-56-8
MolecularFormula: C11H10BrNO2S
MolecularWeight: 300.1716
MdlNumber: MFCD07364061
Smiles: Cc1ccc(cc1)S(=O)(=O)n1cccc1Br
Complexity: 330
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AB33615
ChemicalName:
2-Bromo-n-(p-toluenesulfonyl)pyrrole
CasNumber:
290306-56-8
MolecularFormula:
C11H10BrNO2S
MolecularWeight:
300.1716
MdlNumber:
MFCD07364061
Smiles:
Cc1ccc(cc1)S(=O)(=O)n1cccc1Br
Complexity:
330
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.3
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Smiles: OC[C@H]1O[C@@H](Oc2ccc(cc2[N+](=O)[O-])COC(=O)N[C@H]2C[C@@H](O[C@H]([C@H]2O)C)O[C@H]2C[C@@](O)(Cc3c2c(O)c2c(c3O)C(=O)c3c(C2=O)c(OC)ccc3)C(=O)C)[C@@H]([C@H]([C@H]1O)O)O
Complexity: __
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Smiles:
OC[C@H]1O[C@@H](Oc2ccc(cc2[N+](=O)[O-])COC(=O)N[C@H]2C[C@@H](O[C@H]([C@H]2O)C)O[C@H]2C[C@@](O)(Cc3c2c(O)c2c(c3O)C(=O)c3c(C2=O)c(OC)ccc3)C(=O)C)[C@@H]([C@H]([C@H]1O)O)O
Complexity:
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RotatableBondCount:
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Smiles: OC(=O)c1ccncc1c1ccccc1C
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Smiles:
OC(=O)c1ccncc1c1ccccc1C
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CNC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C
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MolecularFormula:
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Smiles:
CNC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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