AI29807
1313614-61-7 | 6-Methyl-2-(m-tolyl)-1,3,6,2-dioxazaborocane-4,8-dione
Manufacturer: A2B Chem
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CatalogNumber
AI29807
ChemicalName
6-Methyl-2-(m-tolyl)-1,3,6,2-dioxazaborocane-4,8-dione
CasNumber
1313614-61-7
MolecularFormula
C12H14BNO4
MolecularWeight
247.0549
MdlNumber
MFCD18252673
Smiles
CN1CC(=O)OB(OC(=O)C1)c1cccc(c1)C
Complexity
316
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
RotatableBondCount
1
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CatalogNumber: AI29807
ChemicalName: 6-Methyl-2-(m-tolyl)-1,3,6,2-dioxazaborocane-4,8-dione
CasNumber: 1313614-61-7
MolecularFormula: C12H14BNO4
MolecularWeight: 247.0549
MdlNumber: MFCD18252673
Smiles: CN1CC(=O)OB(OC(=O)C1)c1cccc(c1)C
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
CatalogNumber:
AI29807
ChemicalName:
6-Methyl-2-(m-tolyl)-1,3,6,2-dioxazaborocane-4,8-dione
CasNumber:
1313614-61-7
MolecularFormula:
C12H14BNO4
MolecularWeight:
247.0549
MdlNumber:
MFCD18252673
Smiles:
CN1CC(=O)OB(OC(=O)C1)c1cccc(c1)C
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
CatalogNumber: __
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Smiles: CCCS(=O)(=O)c1cccc(c1)B(O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
CCCS(=O)(=O)c1cccc(c1)B(O)O
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1cc(ccc1S(=O)(=O)C)B(O)O
Complexity: 297
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1cc(ccc1S(=O)(=O)C)B(O)O
Complexity:
297
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: Clc1ccc(c(c1)B(O)O)S(=O)(=O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Clc1ccc(c(c1)B(O)O)S(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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