AD44513
1056475-66-1 | 3-Methylsulfinylphenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AD44513
ChemicalName
3-Methylsulfinylphenylboronic acid
CasNumber
1056475-66-1
MolecularFormula
C7H9BO3S
MolecularWeight
184.0206
MdlNumber
MFCD03092931
Smiles
OB(c1cccc(c1)S(=O)C)O
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
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CatalogNumber: AD44513
ChemicalName: 3-Methylsulfinylphenylboronic acid
CasNumber: 1056475-66-1
MolecularFormula: C7H9BO3S
MolecularWeight: 184.0206
MdlNumber: MFCD03092931
Smiles: OB(c1cccc(c1)S(=O)C)O
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AD44513
ChemicalName:
3-Methylsulfinylphenylboronic acid
CasNumber:
1056475-66-1
MolecularFormula:
C7H9BO3S
MolecularWeight:
184.0206
MdlNumber:
MFCD03092931
Smiles:
OB(c1cccc(c1)S(=O)C)O
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
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Smiles: OS(=O)(=O)O.OC1CCN(C1)C(=N)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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MolecularFormula:
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Smiles:
OS(=O)(=O)O.OC1CCN(C1)C(=N)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: O=C=NCS(=O)(=O)c1ccc(cc1)C
Complexity: __
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Smiles:
O=C=NCS(=O)(=O)c1ccc(cc1)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CCCCCCC=C(C(=O)O)CCCC
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MolecularFormula:
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Smiles:
CCCCCCC=C(C(=O)O)CCCC
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
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