AB46503
69812-51-7 | Methyl 4-(chlorosulfonyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AB46503
ChemicalName
Methyl 4-(chlorosulfonyl)benzoate
CasNumber
69812-51-7
MolecularFormula
C8H7ClO4S
MolecularWeight
234.65678000000003
MdlNumber
MFCD00627554
Smiles
COC(=O)c1ccc(cc1)S(=O)(=O)Cl
Complexity
298
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AB46503
ChemicalName: Methyl 4-(chlorosulfonyl)benzoate
CasNumber: 69812-51-7
MolecularFormula: C8H7ClO4S
MolecularWeight: 234.65678000000003
MdlNumber: MFCD00627554
Smiles: COC(=O)c1ccc(cc1)S(=O)(=O)Cl
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AB46503
ChemicalName:
Methyl 4-(chlorosulfonyl)benzoate
CasNumber:
69812-51-7
MolecularFormula:
C8H7ClO4S
MolecularWeight:
234.65678000000003
MdlNumber:
MFCD00627554
Smiles:
COC(=O)c1ccc(cc1)S(=O)(=O)Cl
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: AB46504
ChemicalName: Methyl 4-(cyanomethyl)benzoate
CasNumber: 76469-88-0
MolecularFormula: C10H9NO2
MolecularWeight: 175.184
MdlNumber: MFCD00060695
Smiles: N#CCc1ccc(cc1)C(=O)OC
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AB46504
ChemicalName:
Methyl 4-(cyanomethyl)benzoate
CasNumber:
76469-88-0
MolecularFormula:
C10H9NO2
MolecularWeight:
175.184
MdlNumber:
MFCD00060695
Smiles:
N#CCc1ccc(cc1)C(=O)OC
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1ccc(cc1)C(=O)OC
Complexity: 148
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1ccc(cc1)C(=O)OC
Complexity:
148
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: AB46506
ChemicalName: Methyl 4-acetylbenzoate
CasNumber: 3609-53-8
MolecularFormula: C10H10O3
MolecularWeight: 178.1846
MdlNumber: MFCD00216474
Smiles: COC(=O)c1ccc(cc1)C(=O)C
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AB46506
ChemicalName:
Methyl 4-acetylbenzoate
CasNumber:
3609-53-8
MolecularFormula:
C10H10O3
MolecularWeight:
178.1846
MdlNumber:
MFCD00216474
Smiles:
COC(=O)c1ccc(cc1)C(=O)C
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.9