AA53220
1215206-47-5 | 4-Bromo-2-mercapto-6-(trifluoromethoxy)benzothiazole
Manufacturer: A2B Chem
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CatalogNumber
AA53220
ChemicalName
4-Bromo-2-mercapto-6-(trifluoromethoxy)benzothiazole
CasNumber
1215206-47-5
MolecularFormula
C8H3BrF3NOS2
MolecularWeight
330.1447
MdlNumber
MFCD13195780
Smiles
S=c1[nH]c2c(s1)cc(cc2Br)OC(F)(F)F
Complexity
302
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
4.2
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CatalogNumber: AA53220
ChemicalName: 4-Bromo-2-mercapto-6-(trifluoromethoxy)benzothiazole
CasNumber: 1215206-47-5
MolecularFormula: C8H3BrF3NOS2
MolecularWeight: 330.1447
MdlNumber: MFCD13195780
Smiles: S=c1[nH]c2c(s1)cc(cc2Br)OC(F)(F)F
Complexity: 302
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 4.2
CatalogNumber:
AA53220
ChemicalName:
4-Bromo-2-mercapto-6-(trifluoromethoxy)benzothiazole
CasNumber:
1215206-47-5
MolecularFormula:
C8H3BrF3NOS2
MolecularWeight:
330.1447
MdlNumber:
MFCD13195780
Smiles:
S=c1[nH]c2c(s1)cc(cc2Br)OC(F)(F)F
Complexity:
302
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(Cl)cc(c1)c1cccc(c1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(Cl)cc(c1)c1cccc(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccc(c1)c1ccccc1S(=O)(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccc(c1)c1ccccc1S(=O)(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA53223
ChemicalName: 5-Acetyl-2-methoxyphenylboronic acid
CasNumber: 1215281-20-1
MolecularFormula: C9H11BO4
MolecularWeight: 193.9922
MdlNumber: MFCD09839106
Smiles: COc1ccc(cc1B(O)O)C(=O)C
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AA53223
ChemicalName:
5-Acetyl-2-methoxyphenylboronic acid
CasNumber:
1215281-20-1
MolecularFormula:
C9H11BO4
MolecularWeight:
193.9922
MdlNumber:
MFCD09839106
Smiles:
COc1ccc(cc1B(O)O)C(=O)C
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
__