AB69578
1186663-34-2 | 6-(Methylsulfonyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB69578
ChemicalName
6-(Methylsulfonyl)nicotinic acid
CasNumber
1186663-34-2
MolecularFormula
C7H7NO4S
MolecularWeight
201.1998
MdlNumber
MFCD12828704
Smiles
OC(=O)c1ccc(nc1)S(=O)(=O)C
Complexity
292
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.1
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CatalogNumber: AB69578
ChemicalName: 6-(Methylsulfonyl)nicotinic acid
CasNumber: 1186663-34-2
MolecularFormula: C7H7NO4S
MolecularWeight: 201.1998
MdlNumber: MFCD12828704
Smiles: OC(=O)c1ccc(nc1)S(=O)(=O)C
Complexity: 292
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AB69578
ChemicalName:
6-(Methylsulfonyl)nicotinic acid
CasNumber:
1186663-34-2
MolecularFormula:
C7H7NO4S
MolecularWeight:
201.1998
MdlNumber:
MFCD12828704
Smiles:
OC(=O)c1ccc(nc1)S(=O)(=O)C
Complexity:
292
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.1
CatalogNumber: AB69579
ChemicalName: 2-Methylthiopyridine-5-boronic acid, pinacol ester
CasNumber: 849934-89-0
MolecularFormula: C12H18BNO2S
MolecularWeight: 251.15282
MdlNumber: MFCD09037495
Smiles: CSc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity: 270
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB69579
ChemicalName:
2-Methylthiopyridine-5-boronic acid, pinacol ester
CasNumber:
849934-89-0
MolecularFormula:
C12H18BNO2S
MolecularWeight:
251.15282
MdlNumber:
MFCD09037495
Smiles:
CSc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity:
270
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1ncc2c(n1)c(=O)nc[nH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1ncc2c(n1)c(=O)nc[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccc(nc1)CN1CCOCC1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1ccc(nc1)CN1CCOCC1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__