AG66932
64755-47-1 | Sodium 4-bromophenylmethanesulfonate
Manufacturer: A2B Chem
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CatalogNumber
AG66932
ChemicalName
Sodium 4-bromophenylmethanesulfonate
CasNumber
64755-47-1
MolecularFormula
C7H6BrNaO3S
MolecularWeight
273.0795
MdlNumber
MFCD11113780
Smiles
Brc1ccc(cc1)CS(=O)(=O)[O-].[Na+]
Complexity
229
Covalently-bondedUnitCount
2
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
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CatalogNumber: AG66932
ChemicalName: Sodium 4-bromophenylmethanesulfonate
CasNumber: 64755-47-1
MolecularFormula: C7H6BrNaO3S
MolecularWeight: 273.0795
MdlNumber: MFCD11113780
Smiles: Brc1ccc(cc1)CS(=O)(=O)[O-].[Na+]
Complexity: 229
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
CatalogNumber:
AG66932
ChemicalName:
Sodium 4-bromophenylmethanesulfonate
CasNumber:
64755-47-1
MolecularFormula:
C7H6BrNaO3S
MolecularWeight:
273.0795
MdlNumber:
MFCD11113780
Smiles:
Brc1ccc(cc1)CS(=O)(=O)[O-].[Na+]
Complexity:
229
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
CatalogNumber: __
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MolecularFormula: __
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Smiles: CCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)c1ccc(cc1)C#N
Complexity: 512
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
CCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)c1ccc(cc1)C#N
Complexity:
512
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Smiles: OC(=O)[C@@H](c1ccc(c(c1)Cl)S(=O)(=O)C)CC1CCCC1=O
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Smiles:
OC(=O)[C@@H](c1ccc(c(c1)Cl)S(=O)(=O)C)CC1CCCC1=O
Complexity:
__
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Smiles: OCCCN1CCNCC1.Cl.Cl
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Smiles:
OCCCN1CCNCC1.Cl.Cl
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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