AA54649
1218791-37-7 | 2-Acetamidopyrimidine-5-boronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA54649
ChemicalName
2-Acetamidopyrimidine-5-boronic acid, pinacol ester
CasNumber
1218791-37-7
MolecularFormula
C12H18BN3O3
MolecularWeight
263.1006
MdlNumber
MFCD12546523
Smiles
CC(=O)Nc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity
338
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AA54649
ChemicalName: 2-Acetamidopyrimidine-5-boronic acid, pinacol ester
CasNumber: 1218791-37-7
MolecularFormula: C12H18BN3O3
MolecularWeight: 263.1006
MdlNumber: MFCD12546523
Smiles: CC(=O)Nc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity: 338
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AA54649
ChemicalName:
2-Acetamidopyrimidine-5-boronic acid, pinacol ester
CasNumber:
1218791-37-7
MolecularFormula:
C12H18BN3O3
MolecularWeight:
263.1006
MdlNumber:
MFCD12546523
Smiles:
CC(=O)Nc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity:
338
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: AA54650
ChemicalName: 2-Benzyloxypyrimidine-5-boronic acid, pinacol ester
CasNumber: 1218791-34-4
MolecularFormula: C17H21BN2O3
MolecularWeight: 312.1712
MdlNumber: MFCD11878343
Smiles: CC1(C)OB(OC1(C)C)c1cnc(nc1)OCc1ccccc1
Complexity: 375
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
CatalogNumber:
AA54650
ChemicalName:
2-Benzyloxypyrimidine-5-boronic acid, pinacol ester
CasNumber:
1218791-34-4
MolecularFormula:
C17H21BN2O3
MolecularWeight:
312.1712
MdlNumber:
MFCD11878343
Smiles:
CC1(C)OB(OC1(C)C)c1cnc(nc1)OCc1ccccc1
Complexity:
375
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4
CatalogNumber: AA54651
ChemicalName: 2-Acetamido-5-acrylamidophenylboronic acid, pinacol ester
CasNumber: 1218791-33-3
MolecularFormula: C17H23BN2O4
MolecularWeight: 330.1865
MdlNumber: MFCD12546617
Smiles: C=CC(=O)Nc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)NC(=O)C
Complexity: 505
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AA54651
ChemicalName:
2-Acetamido-5-acrylamidophenylboronic acid, pinacol ester
CasNumber:
1218791-33-3
MolecularFormula:
C17H23BN2O4
MolecularWeight:
330.1865
MdlNumber:
MFCD12546617
Smiles:
C=CC(=O)Nc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)NC(=O)C
Complexity:
505
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: AA54652
ChemicalName: 2,6-Difluoro-4-(methoxycarbonyl)phenylboronic acid, pinacol ester
CasNumber: 1218791-32-2
MolecularFormula: C14H17BF2O4
MolecularWeight: 298.0902
MdlNumber: MFCD12546491
Smiles: COC(=O)c1cc(F)c(c(c1)F)B1OC(C(O1)(C)C)(C)C
Complexity: 388
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 3
CatalogNumber:
AA54652
ChemicalName:
2,6-Difluoro-4-(methoxycarbonyl)phenylboronic acid, pinacol ester
CasNumber:
1218791-32-2
MolecularFormula:
C14H17BF2O4
MolecularWeight:
298.0902
MdlNumber:
MFCD12546491
Smiles:
COC(=O)c1cc(F)c(c(c1)F)B1OC(C(O1)(C)C)(C)C
Complexity:
388
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
3