AG77889
628725-99-5 | 2-Bromo-6-(trifluoromethoxy)benzothiazole
Manufacturer: A2B Chem
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CatalogNumber
AG77889
ChemicalName
2-Bromo-6-(trifluoromethoxy)benzothiazole
CasNumber
628725-99-5
MolecularFormula
C8H3BrF3NOS
MolecularWeight
298.0797
MdlNumber
MFCD09749220
Smiles
Brc1nc2c(s1)cc(cc2)OC(F)(F)F
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
RotatableBondCount
1
Xlogp3
5
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CatalogNumber: AG77889
ChemicalName: 2-Bromo-6-(trifluoromethoxy)benzothiazole
CasNumber: 628725-99-5
MolecularFormula: C8H3BrF3NOS
MolecularWeight: 298.0797
MdlNumber: MFCD09749220
Smiles: Brc1nc2c(s1)cc(cc2)OC(F)(F)F
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
RotatableBondCount: 1
Xlogp3: 5
CatalogNumber:
AG77889
ChemicalName:
2-Bromo-6-(trifluoromethoxy)benzothiazole
CasNumber:
628725-99-5
MolecularFormula:
C8H3BrF3NOS
MolecularWeight:
298.0797
MdlNumber:
MFCD09749220
Smiles:
Brc1nc2c(s1)cc(cc2)OC(F)(F)F
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
RotatableBondCount:
1
Xlogp3:
5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@@H]1C[C@@H](CN1C(=O)OCc1ccccc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@@H]1C[C@@H](CN1C(=O)OCc1ccccc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG77893
ChemicalName: 3-Chloropyridine-2-thiol
CasNumber: 5897-94-9
MolecularFormula: C5H4ClNS
MolecularWeight: 145.61
MdlNumber: MFCD00661364
Smiles: Clc1cccnc1S
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
AG77893
ChemicalName:
3-Chloropyridine-2-thiol
CasNumber:
5897-94-9
MolecularFormula:
C5H4ClNS
MolecularWeight:
145.61
MdlNumber:
MFCD00661364
Smiles:
Clc1cccnc1S
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1.O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1.O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__