AA50517
1373232-33-7 | Methyl 5-bromo-2-(1,1-dioxoisothiazolidin-2-yl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA50517
ChemicalName
Methyl 5-bromo-2-(1,1-dioxoisothiazolidin-2-yl)benzoate
CasNumber
1373232-33-7
MolecularFormula
C11H12BrNO4S
MolecularWeight
334.1863
MdlNumber
MFCD22192470
Smiles
COC(=O)c1cc(Br)ccc1N1CCCS1(=O)=O
Complexity
419
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AA50517
ChemicalName: Methyl 5-bromo-2-(1,1-dioxoisothiazolidin-2-yl)benzoate
CasNumber: 1373232-33-7
MolecularFormula: C11H12BrNO4S
MolecularWeight: 334.1863
MdlNumber: MFCD22192470
Smiles: COC(=O)c1cc(Br)ccc1N1CCCS1(=O)=O
Complexity: 419
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AA50517
ChemicalName:
Methyl 5-bromo-2-(1,1-dioxoisothiazolidin-2-yl)benzoate
CasNumber:
1373232-33-7
MolecularFormula:
C11H12BrNO4S
MolecularWeight:
334.1863
MdlNumber:
MFCD22192470
Smiles:
COC(=O)c1cc(Br)ccc1N1CCCS1(=O)=O
Complexity:
419
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: AA50518
ChemicalName: (1S)-6-Fluoro-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
CasNumber: 1373232-27-9
MolecularFormula: C10H13ClFN
MolecularWeight: 201.6683
MdlNumber: MFCD22056324
Smiles: Fc1ccc2c(c1)CCC[C@@H]2N.Cl
Complexity: 160
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AA50518
ChemicalName:
(1S)-6-Fluoro-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
CasNumber:
1373232-27-9
MolecularFormula:
C10H13ClFN
MolecularWeight:
201.6683
MdlNumber:
MFCD22056324
Smiles:
Fc1ccc2c(c1)CCC[C@@H]2N.Cl
Complexity:
160
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@H]1C(=O)NCCN1C(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@H]1C(=O)NCCN1C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc2c(c1)CCC[C@H]2N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc2c(c1)CCC[C@H]2N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__