AB43015
864754-17-6 | 1-[1,3]Dioxolan-2-ylmethyl-1H-pyrazole-4-boronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AB43015
ChemicalName
1-[1,3]Dioxolan-2-ylmethyl-1H-pyrazole-4-boronic acid, pinacol ester
CasNumber
864754-17-6
MolecularFormula
C13H21BN2O4
MolecularWeight
280.1278
MdlNumber
MFCD08272028
Smiles
CC1(C)OB(OC1(C)C)c1cnn(c1)CC1OCCO1
Complexity
344
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
RotatableBondCount
3
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CatalogNumber: AB43015
ChemicalName: 1-[1,3]Dioxolan-2-ylmethyl-1H-pyrazole-4-boronic acid, pinacol ester
CasNumber: 864754-17-6
MolecularFormula: C13H21BN2O4
MolecularWeight: 280.1278
MdlNumber: MFCD08272028
Smiles: CC1(C)OB(OC1(C)C)c1cnn(c1)CC1OCCO1
Complexity: 344
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
CatalogNumber:
AB43015
ChemicalName:
1-[1,3]Dioxolan-2-ylmethyl-1H-pyrazole-4-boronic acid, pinacol ester
CasNumber:
864754-17-6
MolecularFormula:
C13H21BN2O4
MolecularWeight:
280.1278
MdlNumber:
MFCD08272028
Smiles:
CC1(C)OB(OC1(C)C)c1cnn(c1)CC1OCCO1
Complexity:
344
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCC(CC1)n1ncc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: 540
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCC(CC1)n1ncc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
540
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)C1(C)CCCCC1
Complexity: 132
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)C1(C)CCCCC1
Complexity:
132
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: AB43018
ChemicalName: 1-(2,4-Dichloro-phenyl)-ethylamine
CasNumber: 89981-75-9
MolecularFormula: C8H9Cl2N
MolecularWeight: 190.0698
MdlNumber: MFCD05215236
Smiles: Clc1ccc(c(c1)Cl)C(N)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
AB43018
ChemicalName:
1-(2,4-Dichloro-phenyl)-ethylamine
CasNumber:
89981-75-9
MolecularFormula:
C8H9Cl2N
MolecularWeight:
190.0698
MdlNumber:
MFCD05215236
Smiles:
Clc1ccc(c(c1)Cl)C(N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__