AD69756
1035235-26-7 | 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AD69756
ChemicalName
2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CasNumber
1035235-26-7
MolecularFormula
C20H30BNO4
MolecularWeight
359.2675
MdlNumber
MFCD11044677
Smiles
O=C(N1CCc2c(C1)cccc2B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity
526
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
4
RotatableBondCount
3
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CatalogNumber: AD69756
ChemicalName: 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CasNumber: 1035235-26-7
MolecularFormula: C20H30BNO4
MolecularWeight: 359.2675
MdlNumber: MFCD11044677
Smiles: O=C(N1CCc2c(C1)cccc2B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: 526
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
CatalogNumber:
AD69756
ChemicalName:
2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CasNumber:
1035235-26-7
MolecularFormula:
C20H30BNO4
MolecularWeight:
359.2675
MdlNumber:
MFCD11044677
Smiles:
O=C(N1CCc2c(C1)cccc2B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
526
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: O=C(N1CCC(C1)S(=O)(=O)Cl)OCc1ccccc1
Complexity: __
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Smiles:
O=C(N1CCC(C1)S(=O)(=O)Cl)OCc1ccccc1
Complexity:
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Smiles: CCc1cccc(c1OC)OC
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Smiles:
CCc1cccc(c1OC)OC
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CatalogNumber: AD69764
ChemicalName: 2,3,5,6-Tetrachloropyridine-4-thiol
CasNumber: 10351-06-1
MolecularFormula: C5HCl4NS
MolecularWeight: 248.9451
MdlNumber: MFCD00006231
Smiles: Clc1nc(Cl)c(c(c1Cl)S)Cl
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
CatalogNumber:
AD69764
ChemicalName:
2,3,5,6-Tetrachloropyridine-4-thiol
CasNumber:
10351-06-1
MolecularFormula:
C5HCl4NS
MolecularWeight:
248.9451
MdlNumber:
MFCD00006231
Smiles:
Clc1nc(Cl)c(c(c1Cl)S)Cl
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__