AI44988
214614-62-7 | 1-(2-Bromo-ethyl)-4-methanesulfonyl-benzene
Manufacturer: A2B Chem
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CatalogNumber
AI44988
ChemicalName
1-(2-Bromo-ethyl)-4-methanesulfonyl-benzene
CasNumber
214614-62-7
MolecularFormula
C9H11BrO2S
MolecularWeight
263.15144
MdlNumber
MFCD12025157
Smiles
BrCCc1ccc(cc1)S(=O)(=O)C
Complexity
235
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AI44988
ChemicalName: 1-(2-Bromo-ethyl)-4-methanesulfonyl-benzene
CasNumber: 214614-62-7
MolecularFormula: C9H11BrO2S
MolecularWeight: 263.15144
MdlNumber: MFCD12025157
Smiles: BrCCc1ccc(cc1)S(=O)(=O)C
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AI44988
ChemicalName:
1-(2-Bromo-ethyl)-4-methanesulfonyl-benzene
CasNumber:
214614-62-7
MolecularFormula:
C9H11BrO2S
MolecularWeight:
263.15144
MdlNumber:
MFCD12025157
Smiles:
BrCCc1ccc(cc1)S(=O)(=O)C
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN(c1cccc(c1)N)CC.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN(c1cccc(c1)N)CC.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(N(c1ccccc1)C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(N(c1ccccc1)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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CatalogNumber: AI44991
ChemicalName: Ethyl 5-hydroxy-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylate
CasNumber: 21472-88-8
MolecularFormula: C8H11NO4
MolecularWeight: 185.17724000000004
MdlNumber: MFCD05670080
Smiles: CCOC(=O)C1=C(O)C(=O)NCC1
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 0.4
CatalogNumber:
AI44991
ChemicalName:
Ethyl 5-hydroxy-6-oxo-1,2,3,6-tetrahydro-4-pyridinecarboxylate
CasNumber:
21472-88-8
MolecularFormula:
C8H11NO4
MolecularWeight:
185.17724000000004
MdlNumber:
MFCD05670080
Smiles:
CCOC(=O)C1=C(O)C(=O)NCC1
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
0.4