AA54602
1218790-83-0 | 3-((Tetrahydrofuran-2-yl)methylcarbamoyl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AA54602
ChemicalName
3-((Tetrahydrofuran-2-yl)methylcarbamoyl)phenylboronic acid
CasNumber
1218790-83-0
MolecularFormula
C12H16BNO4
MolecularWeight
249.0707
MdlNumber
MFCD12546614
Smiles
O=C(c1cccc(c1)B(O)O)NCC1CCCO1
Complexity
287
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
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CatalogNumber: AA54602
ChemicalName: 3-((Tetrahydrofuran-2-yl)methylcarbamoyl)phenylboronic acid
CasNumber: 1218790-83-0
MolecularFormula: C12H16BNO4
MolecularWeight: 249.0707
MdlNumber: MFCD12546614
Smiles: O=C(c1cccc(c1)B(O)O)NCC1CCCO1
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AA54602
ChemicalName:
3-((Tetrahydrofuran-2-yl)methylcarbamoyl)phenylboronic acid
CasNumber:
1218790-83-0
MolecularFormula:
C12H16BNO4
MolecularWeight:
249.0707
MdlNumber:
MFCD12546614
Smiles:
O=C(c1cccc(c1)B(O)O)NCC1CCCO1
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
CatalogNumber: AA54603
ChemicalName: 3-(4-(BOC-Piperazine-1-carbonyl)phenylboronic acid
CasNumber: 1218790-82-9
MolecularFormula: C16H23BN2O5
MolecularWeight: 334.1752
MdlNumber: MFCD12546575
Smiles: O=C(N1CCN(CC1)C(=O)c1cccc(c1)B(O)O)OC(C)(C)C
Complexity: 458
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
CatalogNumber:
AA54603
ChemicalName:
3-(4-(BOC-Piperazine-1-carbonyl)phenylboronic acid
CasNumber:
1218790-82-9
MolecularFormula:
C16H23BN2O5
MolecularWeight:
334.1752
MdlNumber:
MFCD12546575
Smiles:
O=C(N1CCN(CC1)C(=O)c1cccc(c1)B(O)O)OC(C)(C)C
Complexity:
458
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
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:
__