AA53081
1215074-49-9 | Methyl 3-fluoro-4-(methylsulfonyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA53081
ChemicalName
Methyl 3-fluoro-4-(methylsulfonyl)benzoate
CasNumber
1215074-49-9
MolecularFormula
C9H9FO4S
MolecularWeight
232.2288
MdlNumber
MFCD15143295
Smiles
COC(=O)c1ccc(c(c1)F)S(=O)(=O)C
Complexity
333
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
1.1
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CatalogNumber: AA53081
ChemicalName: Methyl 3-fluoro-4-(methylsulfonyl)benzoate
CasNumber: 1215074-49-9
MolecularFormula: C9H9FO4S
MolecularWeight: 232.2288
MdlNumber: MFCD15143295
Smiles: COC(=O)c1ccc(c(c1)F)S(=O)(=O)C
Complexity: 333
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AA53081
ChemicalName:
Methyl 3-fluoro-4-(methylsulfonyl)benzoate
CasNumber:
1215074-49-9
MolecularFormula:
C9H9FO4S
MolecularWeight:
232.2288
MdlNumber:
MFCD15143295
Smiles:
COC(=O)c1ccc(c(c1)F)S(=O)(=O)C
Complexity:
333
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(N)ccc1C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(N)ccc1C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA53083
ChemicalName: 8-Bromo-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine
CasNumber: 1215074-47-7
MolecularFormula: C9H10BrNO
MolecularWeight: 228.0858
MdlNumber: MFCD13186756
Smiles: Brc1ccc2c(c1)OCCNC2
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
AA53083
ChemicalName:
8-Bromo-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine
CasNumber:
1215074-47-7
MolecularFormula:
C9H10BrNO
MolecularWeight:
228.0858
MdlNumber:
MFCD13186756
Smiles:
Brc1ccc2c(c1)OCCNC2
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cnc2c(c1)nc(nc2Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cnc2c(c1)nc(nc2Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__