AC50108
772-47-4 | [(ethanesulfonyl)methyl]benzene
Manufacturer: A2B Chem
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CatalogNumber
AC50108
ChemicalName
[(ethanesulfonyl)methyl]benzene
CasNumber
772-47-4
MolecularFormula
C9H12O2S
MolecularWeight
184.2554
MdlNumber
MFCD00830724
Smiles
CCS(=O)(=O)Cc1ccccc1
NscNumber
65082
Complexity
207
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AC50108
ChemicalName: [(ethanesulfonyl)methyl]benzene
CasNumber: 772-47-4
MolecularFormula: C9H12O2S
MolecularWeight: 184.2554
MdlNumber: MFCD00830724
Smiles: CCS(=O)(=O)Cc1ccccc1
NscNumber: 65082
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AC50108
ChemicalName:
[(ethanesulfonyl)methyl]benzene
CasNumber:
772-47-4
MolecularFormula:
C9H12O2S
MolecularWeight:
184.2554
MdlNumber:
MFCD00830724
Smiles:
CCS(=O)(=O)Cc1ccccc1
NscNumber:
65082
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(C(=O)OCC)(CCC(C)C)CC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(C(=O)OCC)(CCC(C)C)CC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1OC(OC1COS(=O)(=O)c1ccc(cc1)C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1OC(OC1COS(=O)(=O)c1ccc(cc1)C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC50116
ChemicalName: 4-(Pyrimidin-2-yl)benzaldehyde
CasNumber: 77232-38-3
MolecularFormula: C11H8N2O
MolecularWeight: 184.194
MdlNumber: MFCD08056282
Smiles: O=Cc1ccc(cc1)c1ncccn1
NscNumber: __
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AC50116
ChemicalName:
4-(Pyrimidin-2-yl)benzaldehyde
CasNumber:
77232-38-3
MolecularFormula:
C11H8N2O
MolecularWeight:
184.194
MdlNumber:
MFCD08056282
Smiles:
O=Cc1ccc(cc1)c1ncccn1
NscNumber:
__
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.3