AD94690
850593-02-1 | 1-(4-Boronobenzoyl)piperidine-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD94690
ChemicalName
1-(4-Boronobenzoyl)piperidine-4-carboxylic acid
CasNumber
850593-02-1
MolecularFormula
C13H16BNO5
MolecularWeight
277.0808
MdlNumber
MFCD07363784
Smiles
OC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)B(O)O
Complexity
360
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
3
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CatalogNumber: AD94690
ChemicalName: 1-(4-Boronobenzoyl)piperidine-4-carboxylic acid
CasNumber: 850593-02-1
MolecularFormula: C13H16BNO5
MolecularWeight: 277.0808
MdlNumber: MFCD07363784
Smiles: OC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)B(O)O
Complexity: 360
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AD94690
ChemicalName:
1-(4-Boronobenzoyl)piperidine-4-carboxylic acid
CasNumber:
850593-02-1
MolecularFormula:
C13H16BNO5
MolecularWeight:
277.0808
MdlNumber:
MFCD07363784
Smiles:
OC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)B(O)O
Complexity:
360
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
3
CatalogNumber: AD94691
ChemicalName: 3-Fluoro-5-(2,2,2-trifluoroethoxy)phenylboronic acid
CasNumber: 850589-55-8
MolecularFormula: C8H7BF4O3
MolecularWeight: 237.944
MdlNumber: MFCD09475814
Smiles: Fc1cc(OCC(F)(F)F)cc(c1)B(O)O
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AD94691
ChemicalName:
3-Fluoro-5-(2,2,2-trifluoroethoxy)phenylboronic acid
CasNumber:
850589-55-8
MolecularFormula:
C8H7BF4O3
MolecularWeight:
237.944
MdlNumber:
MFCD09475814
Smiles:
Fc1cc(OCC(F)(F)F)cc(c1)B(O)O
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: AD94692
ChemicalName: 3-Chloro-4-(N,N-dimethylcarbamoyl)phenylboronic acid
CasNumber: 850589-47-8
MolecularFormula: C9H11BClNO3
MolecularWeight: 227.4525
MdlNumber: MFCD07363772
Smiles: CN(C(=O)c1ccc(cc1Cl)B(O)O)C
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AD94692
ChemicalName:
3-Chloro-4-(N,N-dimethylcarbamoyl)phenylboronic acid
CasNumber:
850589-47-8
MolecularFormula:
C9H11BClNO3
MolecularWeight:
227.4525
MdlNumber:
MFCD07363772
Smiles:
CN(C(=O)c1ccc(cc1Cl)B(O)O)C
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
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Smiles: CNc1cnco1.Cl
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Smiles:
CNc1cnco1.Cl
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RotatableBondCount:
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