AA54604
1218790-81-8 | 3-(3-(Ethoxycarbonyl)piperidine-1-carbonyl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AA54604
ChemicalName
3-(3-(Ethoxycarbonyl)piperidine-1-carbonyl)phenylboronic acid
CasNumber
1218790-81-8
MolecularFormula
C15H20BNO5
MolecularWeight
305.134
MdlNumber
MFCD12756423
Smiles
CCOC(=O)C1CCCN(C1)C(=O)c1cccc(c1)B(O)O
Complexity
403
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
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CatalogNumber: AA54604
ChemicalName: 3-(3-(Ethoxycarbonyl)piperidine-1-carbonyl)phenylboronic acid
CasNumber: 1218790-81-8
MolecularFormula: C15H20BNO5
MolecularWeight: 305.134
MdlNumber: MFCD12756423
Smiles: CCOC(=O)C1CCCN(C1)C(=O)c1cccc(c1)B(O)O
Complexity: 403
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AA54604
ChemicalName:
3-(3-(Ethoxycarbonyl)piperidine-1-carbonyl)phenylboronic acid
CasNumber:
1218790-81-8
MolecularFormula:
C15H20BNO5
MolecularWeight:
305.134
MdlNumber:
MFCD12756423
Smiles:
CCOC(=O)C1CCCN(C1)C(=O)c1cccc(c1)B(O)O
Complexity:
403
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N(c1ccc(cn1)B(O)O)C)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N(c1ccc(cn1)B(O)O)C)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: AA54606
ChemicalName: 2-(2,2,2-Trifluoroethoxy)pyridine-3-boronic acid
CasNumber: 1218790-79-4
MolecularFormula: C7H7BF3NO3
MolecularWeight: 220.9416
MdlNumber: MFCD07374887
Smiles: OB(c1cccnc1OCC(F)(F)F)O
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
CatalogNumber:
AA54606
ChemicalName:
2-(2,2,2-Trifluoroethoxy)pyridine-3-boronic acid
CasNumber:
1218790-79-4
MolecularFormula:
C7H7BF3NO3
MolecularWeight:
220.9416
MdlNumber:
MFCD07374887
Smiles:
OB(c1cccnc1OCC(F)(F)F)O
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCN(CC1)c1ncccc1B(O)O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCN(CC1)c1ncccc1B(O)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__