AC15513
852026-79-0 | 1-(4-Bromo-3-methylphenylsulfonyl)pyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AC15513
ChemicalName
1-(4-Bromo-3-methylphenylsulfonyl)pyrrolidine
CasNumber
852026-79-0
MolecularFormula
C11H14BrNO2S
MolecularWeight
304.2034
MdlNumber
MFCD04966262
Smiles
Brc1ccc(cc1C)S(=O)(=O)N1CCCC1
Complexity
332
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AC15513
ChemicalName: 1-(4-Bromo-3-methylphenylsulfonyl)pyrrolidine
CasNumber: 852026-79-0
MolecularFormula: C11H14BrNO2S
MolecularWeight: 304.2034
MdlNumber: MFCD04966262
Smiles: Brc1ccc(cc1C)S(=O)(=O)N1CCCC1
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AC15513
ChemicalName:
1-(4-Bromo-3-methylphenylsulfonyl)pyrrolidine
CasNumber:
852026-79-0
MolecularFormula:
C11H14BrNO2S
MolecularWeight:
304.2034
MdlNumber:
MFCD04966262
Smiles:
Brc1ccc(cc1C)S(=O)(=O)N1CCCC1
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OCC1OC(Oc2ccc(cc2)[N+](=O)[O-])C(C(C1OC1OC(COC(=O)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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Smiles:
CC(=O)OCC1OC(Oc2ccc(cc2)[N+](=O)[O-])C(C(C1OC1OC(COC(=O)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC[C@@H](Oc1cc(OCc2ccccc2)cc(c1)C(=O)O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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MolecularFormula:
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Smiles:
COC[C@@H](Oc1cc(OCc2ccccc2)cc(c1)C(=O)O)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Xlogp3:
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CatalogNumber: AC15535
ChemicalName: 3-(3-Butylureido)phenylboronic acid, pinacol ester
CasNumber: 874299-07-7
MolecularFormula: C17H27BN2O3
MolecularWeight: 318.2189
MdlNumber: MFCD06659931
Smiles: CCCCNC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 399
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: __
CatalogNumber:
AC15535
ChemicalName:
3-(3-Butylureido)phenylboronic acid, pinacol ester
CasNumber:
874299-07-7
MolecularFormula:
C17H27BN2O3
MolecularWeight:
318.2189
MdlNumber:
MFCD06659931
Smiles:
CCCCNC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
399
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
__