AB63421
220798-39-0 | 3-(Methylsulfonyl)benzyl alcohol
Manufacturer: A2B Chem
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CatalogNumber
AB63421
ChemicalName
3-(Methylsulfonyl)benzyl alcohol
CasNumber
220798-39-0
MolecularFormula
C8H10O3S
MolecularWeight
186.2282
MdlNumber
MFCD15527275
Smiles
OCc1cccc(c1)S(=O)(=O)C
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.3
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CatalogNumber: AB63421
ChemicalName: 3-(Methylsulfonyl)benzyl alcohol
CasNumber: 220798-39-0
MolecularFormula: C8H10O3S
MolecularWeight: 186.2282
MdlNumber: MFCD15527275
Smiles: OCc1cccc(c1)S(=O)(=O)C
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.3
CatalogNumber:
AB63421
ChemicalName:
3-(Methylsulfonyl)benzyl alcohol
CasNumber:
220798-39-0
MolecularFormula:
C8H10O3S
MolecularWeight:
186.2282
MdlNumber:
MFCD15527275
Smiles:
OCc1cccc(c1)S(=O)(=O)C
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.3
CatalogNumber: AB63422
ChemicalName: 3-(Methylsulfonyl)benzylamine
CasNumber: 771573-22-9
MolecularFormula: C8H11NO2S
MolecularWeight: 185.2434
MdlNumber: MFCD12024691
Smiles: NCc1cccc(c1)S(=O)(=O)C
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.5
CatalogNumber:
AB63422
ChemicalName:
3-(Methylsulfonyl)benzylamine
CasNumber:
771573-22-9
MolecularFormula:
C8H11NO2S
MolecularWeight:
185.2434
MdlNumber:
MFCD12024691
Smiles:
NCc1cccc(c1)S(=O)(=O)C
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.5
CatalogNumber: AB63423
ChemicalName: 3-(Methylsulfonyl)benzylamine HCl
CasNumber: 855267-50-4
MolecularFormula: C8H12ClNO2S
MolecularWeight: 221.7044
MdlNumber: MFCD09064909
Smiles: NCc1cccc(c1)S(=O)(=O)C.Cl
Complexity: 230
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB63423
ChemicalName:
3-(Methylsulfonyl)benzylamine HCl
CasNumber:
855267-50-4
MolecularFormula:
C8H12ClNO2S
MolecularWeight:
221.7044
MdlNumber:
MFCD09064909
Smiles:
NCc1cccc(c1)S(=O)(=O)C.Cl
Complexity:
230
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AB63424
ChemicalName: 3-Methylsulfonylphenylboronic acid
CasNumber: 373384-18-0
MolecularFormula: C7H9BO4S
MolecularWeight: 200.02
MdlNumber: MFCD03092935
Smiles: OB(c1cccc(c1)S(=O)(=O)C)O
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB63424
ChemicalName:
3-Methylsulfonylphenylboronic acid
CasNumber:
373384-18-0
MolecularFormula:
C7H9BO4S
MolecularWeight:
200.02
MdlNumber:
MFCD03092935
Smiles:
OB(c1cccc(c1)S(=O)(=O)C)O
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__