AD26877
1345471-26-2 | 1-Bromo-3-(propane-2-sulfinyl)benzene
Manufacturer: A2B Chem
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CatalogNumber
AD26877
ChemicalName
1-Bromo-3-(propane-2-sulfinyl)benzene
CasNumber
1345471-26-2
MolecularFormula
C9H11BrOS
MolecularWeight
247.152
MdlNumber
MFCD20441853
Smiles
Brc1cccc(c1)S(=O)C(C)C
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
2.4
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CatalogNumber: AD26877
ChemicalName: 1-Bromo-3-(propane-2-sulfinyl)benzene
CasNumber: 1345471-26-2
MolecularFormula: C9H11BrOS
MolecularWeight: 247.152
MdlNumber: MFCD20441853
Smiles: Brc1cccc(c1)S(=O)C(C)C
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.4
CatalogNumber:
AD26877
ChemicalName:
1-Bromo-3-(propane-2-sulfinyl)benzene
CasNumber:
1345471-26-2
MolecularFormula:
C9H11BrOS
MolecularWeight:
247.152
MdlNumber:
MFCD20441853
Smiles:
Brc1cccc(c1)S(=O)C(C)C
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.4
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MolecularFormula: __
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Smiles: OC(=O)c1cnoc1C(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
OC(=O)c1cnoc1C(C)(C)C
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CCc1oncc1C(=O)O
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Smiles:
CCc1oncc1C(=O)O
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: S=C1NC(=O)SC1=Cc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S=C1NC(=O)SC1=Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__