AI38667
1691896-14-6 | 2-((Methylsulfonyl)methyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AI38667
ChemicalName
2-((Methylsulfonyl)methyl)nicotinic acid
CasNumber
1691896-14-6
MolecularFormula
C8H9NO4S
MolecularWeight
215.2264
MdlNumber
MFCD28991817
Smiles
OC(=O)c1cccnc1CS(=O)(=O)C
Complexity
306
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.4
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CatalogNumber: AI38667
ChemicalName: 2-((Methylsulfonyl)methyl)nicotinic acid
CasNumber: 1691896-14-6
MolecularFormula: C8H9NO4S
MolecularWeight: 215.2264
MdlNumber: MFCD28991817
Smiles: OC(=O)c1cccnc1CS(=O)(=O)C
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.4
CatalogNumber:
AI38667
ChemicalName:
2-((Methylsulfonyl)methyl)nicotinic acid
CasNumber:
1691896-14-6
MolecularFormula:
C8H9NO4S
MolecularWeight:
215.2264
MdlNumber:
MFCD28991817
Smiles:
OC(=O)c1cccnc1CS(=O)(=O)C
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.4
CatalogNumber: AI38668
ChemicalName: 2-Bromo-5-(2-ethoxyethoxy)pyridine
CasNumber: 1691936-08-9
MolecularFormula: C9H12BrNO2
MolecularWeight: 246.1011
MdlNumber: MFCD28143957
Smiles: CCOCCOc1ccc(nc1)Br
Complexity: 135
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 2.1
CatalogNumber:
AI38668
ChemicalName:
2-Bromo-5-(2-ethoxyethoxy)pyridine
CasNumber:
1691936-08-9
MolecularFormula:
C9H12BrNO2
MolecularWeight:
246.1011
MdlNumber:
MFCD28143957
Smiles:
CCOCCOc1ccc(nc1)Br
Complexity:
135
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [Cl-][Pt+4]([Cl-])([Cl-])([Cl-])([Cl-])[Cl-].[K+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[Cl-][Pt+4]([Cl-])([Cl-])([Cl-])([Cl-])[Cl-].[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI38670
ChemicalName: 1-((Benzyloxy)carbonyl)-3-methylpiperidine-2-carboxylic acid
CasNumber: 1692110-84-1
MolecularFormula: C15H19NO4
MolecularWeight: 277.3157
MdlNumber: MFCD28119163
Smiles: CC1CCCN(C1C(=O)O)C(=O)OCc1ccccc1
Complexity: 352
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AI38670
ChemicalName:
1-((Benzyloxy)carbonyl)-3-methylpiperidine-2-carboxylic acid
CasNumber:
1692110-84-1
MolecularFormula:
C15H19NO4
MolecularWeight:
277.3157
MdlNumber:
MFCD28119163
Smiles:
CC1CCCN(C1C(=O)O)C(=O)OCc1ccccc1
Complexity:
352
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.5