AB53536
862728-59-4 | Toluene-4-sulfonic acid 2-cyclopropoxy-ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB53536
ChemicalName
Toluene-4-sulfonic acid 2-cyclopropoxy-ethyl ester
CasNumber
862728-59-4
MolecularFormula
C12H16O4S
MolecularWeight
256.318
MdlNumber
MFCD22209886
Smiles
Cc1ccc(cc1)S(=O)(=O)OCCOC1CC1
Complexity
321
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
6
Xlogp3
1.9
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CatalogNumber: AB53536
ChemicalName: Toluene-4-sulfonic acid 2-cyclopropoxy-ethyl ester
CasNumber: 862728-59-4
MolecularFormula: C12H16O4S
MolecularWeight: 256.318
MdlNumber: MFCD22209886
Smiles: Cc1ccc(cc1)S(=O)(=O)OCCOC1CC1
Complexity: 321
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 1.9
CatalogNumber:
AB53536
ChemicalName:
Toluene-4-sulfonic acid 2-cyclopropoxy-ethyl ester
CasNumber:
862728-59-4
MolecularFormula:
C12H16O4S
MolecularWeight:
256.318
MdlNumber:
MFCD22209886
Smiles:
Cc1ccc(cc1)S(=O)(=O)OCCOC1CC1
Complexity:
321
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
1.9
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MolecularFormula: __
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Smiles: [O-]n1nnc2c1cccc2.[NH4+]
Complexity: 130
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
[O-]n1nnc2c1cccc2.[NH4+]
Complexity:
130
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: Clc1c(Br)c(Br)c(c(c1Br)Br)Cl
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Smiles:
Clc1c(Br)c(Br)c(c(c1Br)Br)Cl
Complexity:
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__
HydrogenBondAcceptorCount:
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Smiles: BrCC[C@](S(=O)(=O)C)(C(=O)OCC)C
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Smiles:
BrCC[C@](S(=O)(=O)C)(C(=O)OCC)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__