AI37898
1615247-97-6 | 1-[2-(4-Boronophenoxy)ethyl]-1,4-dihydropyridin-4-one
Manufacturer: A2B Chem
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CatalogNumber
AI37898
ChemicalName
1-[2-(4-Boronophenoxy)ethyl]-1,4-dihydropyridin-4-one
CasNumber
1615247-97-6
MolecularFormula
C13H14BNO4
MolecularWeight
259.0656
MdlNumber
MFCD17402509
Smiles
O=c1ccn(cc1)CCOc1ccc(cc1)B(O)O
Complexity
346
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
5
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CatalogNumber: AI37898
ChemicalName: 1-[2-(4-Boronophenoxy)ethyl]-1,4-dihydropyridin-4-one
CasNumber: 1615247-97-6
MolecularFormula: C13H14BNO4
MolecularWeight: 259.0656
MdlNumber: MFCD17402509
Smiles: O=c1ccn(cc1)CCOc1ccc(cc1)B(O)O
Complexity: 346
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
CatalogNumber:
AI37898
ChemicalName:
1-[2-(4-Boronophenoxy)ethyl]-1,4-dihydropyridin-4-one
CasNumber:
1615247-97-6
MolecularFormula:
C13H14BNO4
MolecularWeight:
259.0656
MdlNumber:
MFCD17402509
Smiles:
O=c1ccn(cc1)CCOc1ccc(cc1)B(O)O
Complexity:
346
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: IC[C@H](C(C)C)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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MolecularWeight:
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MdlNumber:
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Smiles:
IC[C@H](C(C)C)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: c1ccc(cc1)CN1C[C@H]2[C@@H](C1)CCCN2.c1ccc(cc1)CN1C[C@@H]2[C@H](C1)CCCN2
Complexity: 223
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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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:
c1ccc(cc1)CN1C[C@H]2[C@@H](C1)CCCN2.c1ccc(cc1)CN1C[C@@H]2[C@H](C1)CCCN2
Complexity:
223
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: IC[C@@H](c1ccccc1)NC(=O)OC(C)(C)C
Complexity: 244
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
IC[C@@H](c1ccccc1)NC(=O)OC(C)(C)C
Complexity:
244
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__