AI40750
1820687-93-1 | Methyl 2,5-dimethanesulfonylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI40750
ChemicalName
Methyl 2,5-dimethanesulfonylbenzoate
CasNumber
1820687-93-1
MolecularFormula
C10H12O6S2
MolecularWeight
292.3287
MdlNumber
MFCD28101636
Smiles
COC(=O)c1cc(ccc1S(=O)(=O)C)S(=O)(=O)C
Complexity
508
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
RotatableBondCount
4
Xlogp3
0.9
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CatalogNumber: AI40750
ChemicalName: Methyl 2,5-dimethanesulfonylbenzoate
CasNumber: 1820687-93-1
MolecularFormula: C10H12O6S2
MolecularWeight: 292.3287
MdlNumber: MFCD28101636
Smiles: COC(=O)c1cc(ccc1S(=O)(=O)C)S(=O)(=O)C
Complexity: 508
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
Xlogp3: 0.9
CatalogNumber:
AI40750
ChemicalName:
Methyl 2,5-dimethanesulfonylbenzoate
CasNumber:
1820687-93-1
MolecularFormula:
C10H12O6S2
MolecularWeight:
292.3287
MdlNumber:
MFCD28101636
Smiles:
COC(=O)c1cc(ccc1S(=O)(=O)C)S(=O)(=O)C
Complexity:
508
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)OC)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)OC)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC(C1)S(=O)(=O)Cc1ccccc1)OC(C)(C)C
Complexity: 463
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC(C1)S(=O)(=O)Cc1ccccc1)OC(C)(C)C
Complexity:
463
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: AI40755
ChemicalName: 2-Bromo-1-methanesulfonyl-4-(trifluoromethyl)benzene
CasNumber: 1820703-37-4
MolecularFormula: C8H6BrF3O2S
MolecularWeight: 303.0962
MdlNumber: MFCD27578181
Smiles: Brc1cc(ccc1S(=O)(=O)C)C(F)(F)F
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AI40755
ChemicalName:
2-Bromo-1-methanesulfonyl-4-(trifluoromethyl)benzene
CasNumber:
1820703-37-4
MolecularFormula:
C8H6BrF3O2S
MolecularWeight:
303.0962
MdlNumber:
MFCD27578181
Smiles:
Brc1cc(ccc1S(=O)(=O)C)C(F)(F)F
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
2.7