AG21866
496778-03-1 | 1-[(5-Bromothien-2-yl)sulfonyl]piperidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG21866
ChemicalName
1-[(5-Bromothien-2-yl)sulfonyl]piperidine-3-carboxylic acid
CasNumber
496778-03-1
MolecularFormula
C10H12BrNO4S2
MolecularWeight
354.2406
MdlNumber
MFCD03230885
Smiles
OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(s1)Br
Complexity
422
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.1
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CatalogNumber: AG21866
ChemicalName: 1-[(5-Bromothien-2-yl)sulfonyl]piperidine-3-carboxylic acid
CasNumber: 496778-03-1
MolecularFormula: C10H12BrNO4S2
MolecularWeight: 354.2406
MdlNumber: MFCD03230885
Smiles: OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(s1)Br
Complexity: 422
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.1
CatalogNumber:
AG21866
ChemicalName:
1-[(5-Bromothien-2-yl)sulfonyl]piperidine-3-carboxylic acid
CasNumber:
496778-03-1
MolecularFormula:
C10H12BrNO4S2
MolecularWeight:
354.2406
MdlNumber:
MFCD03230885
Smiles:
OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(s1)Br
Complexity:
422
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.1
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Smiles: F[B-](F)(F)F.CCCCCC[n+]1ccccc1
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Smiles:
F[B-](F)(F)F.CCCCCC[n+]1ccccc1
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Smiles: CCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC
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Smiles:
CCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC
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Smiles: COS(=O)(=O)[O-].CCn1cc[n+](c1)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COS(=O)(=O)[O-].CCn1cc[n+](c1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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