AV18403
862129-72-4 | 4-(Methylsulfonyl)cyclohexanone
Manufacturer: A2B Chem
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CatalogNumber
AV18403
ChemicalName
4-(Methylsulfonyl)cyclohexanone
CasNumber
862129-72-4
MolecularFormula
C7H12O3S
MolecularWeight
176.2334
MdlNumber
MFCD21648605
Smiles
O=C1CCC(CC1)S(=O)(=O)C
Complexity
237
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
-0.2
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CatalogNumber: AV18403
ChemicalName: 4-(Methylsulfonyl)cyclohexanone
CasNumber: 862129-72-4
MolecularFormula: C7H12O3S
MolecularWeight: 176.2334
MdlNumber: MFCD21648605
Smiles: O=C1CCC(CC1)S(=O)(=O)C
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: -0.2
CatalogNumber:
AV18403
ChemicalName:
4-(Methylsulfonyl)cyclohexanone
CasNumber:
862129-72-4
MolecularFormula:
C7H12O3S
MolecularWeight:
176.2334
MdlNumber:
MFCD21648605
Smiles:
O=C1CCC(CC1)S(=O)(=O)C
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(c(c1)NC(=O)c1cc(ccc1F)B(O)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(c(c1)NC(=O)c1cc(ccc1F)B(O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCN(CC1)c1ncc(cn1)I)OC(C)(C)C
Complexity: 332
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCN(CC1)c1ncc(cn1)I)OC(C)(C)C
Complexity:
332
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: AV18406
ChemicalName: (R)-3-(4-Bromophenyl)-5-(hydroxymethyl)oxazolidin-2-one
CasNumber: 1252686-47-7
MolecularFormula: C10H10BrNO3
MolecularWeight: 272.0953
MdlNumber: MFCD08166350
Smiles: OC[C@H]1CN(C(=O)O1)c1ccc(cc1)Br
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AV18406
ChemicalName:
(R)-3-(4-Bromophenyl)-5-(hydroxymethyl)oxazolidin-2-one
CasNumber:
1252686-47-7
MolecularFormula:
C10H10BrNO3
MolecularWeight:
272.0953
MdlNumber:
MFCD08166350
Smiles:
OC[C@H]1CN(C(=O)O1)c1ccc(cc1)Br
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.5