AI40251
1820608-23-8 | 5-Bromo-2-(methylsulfinyl)benzotrifluoride
Manufacturer: A2B Chem
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CatalogNumber
AI40251
ChemicalName
5-Bromo-2-(methylsulfinyl)benzotrifluoride
CasNumber
1820608-23-8
MolecularFormula
C8H6BrF3OS
MolecularWeight
287.0968
MdlNumber
MFCD27981316
Smiles
Brc1ccc(c(c1)C(F)(F)F)S(=O)C
Complexity
231
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
2.6
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CatalogNumber: AI40251
ChemicalName: 5-Bromo-2-(methylsulfinyl)benzotrifluoride
CasNumber: 1820608-23-8
MolecularFormula: C8H6BrF3OS
MolecularWeight: 287.0968
MdlNumber: MFCD27981316
Smiles: Brc1ccc(c(c1)C(F)(F)F)S(=O)C
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.6
CatalogNumber:
AI40251
ChemicalName:
5-Bromo-2-(methylsulfinyl)benzotrifluoride
CasNumber:
1820608-23-8
MolecularFormula:
C8H6BrF3OS
MolecularWeight:
287.0968
MdlNumber:
MFCD27981316
Smiles:
Brc1ccc(c(c1)C(F)(F)F)S(=O)C
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CNC(=O)CNC(=O)OCc1ccccc1)O
Complexity: 290
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CNC(=O)CNC(=O)OCc1ccccc1)O
Complexity:
290
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1cnc(c(c1)F)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1cnc(c(c1)F)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cccc(n1)c1ccsc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cccc(n1)c1ccsc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__