AA54616
1218791-25-3 | 5-(N-Methylcarbamoyl)pyridine-3-boronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA54616
ChemicalName
5-(N-Methylcarbamoyl)pyridine-3-boronic acid, pinacol ester
CasNumber
1218791-25-3
MolecularFormula
C13H19BN2O3
MolecularWeight
262.1126
MdlNumber
MFCD11878275
Smiles
CNC(=O)c1cncc(c1)B1OC(C(O1)(C)C)(C)C
Complexity
344
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AA54616
ChemicalName: 5-(N-Methylcarbamoyl)pyridine-3-boronic acid, pinacol ester
CasNumber: 1218791-25-3
MolecularFormula: C13H19BN2O3
MolecularWeight: 262.1126
MdlNumber: MFCD11878275
Smiles: CNC(=O)c1cncc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 344
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AA54616
ChemicalName:
5-(N-Methylcarbamoyl)pyridine-3-boronic acid, pinacol ester
CasNumber:
1218791-25-3
MolecularFormula:
C13H19BN2O3
MolecularWeight:
262.1126
MdlNumber:
MFCD11878275
Smiles:
CNC(=O)c1cncc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
344
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: AA54617
ChemicalName: 4-(N-t-Butylamino)-3-nitrophenylboronic acid, pinacol ester
CasNumber: 1218791-23-1
MolecularFormula: C16H25BN2O4
MolecularWeight: 320.1917
MdlNumber: MFCD21848380
Smiles: [O-][N+](=O)c1cc(ccc1NC(C)(C)C)B1OC(C(O1)(C)C)(C)C
Complexity: 440
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AA54617
ChemicalName:
4-(N-t-Butylamino)-3-nitrophenylboronic acid, pinacol ester
CasNumber:
1218791-23-1
MolecularFormula:
C16H25BN2O4
MolecularWeight:
320.1917
MdlNumber:
MFCD21848380
Smiles:
[O-][N+](=O)c1cc(ccc1NC(C)(C)C)B1OC(C(O1)(C)C)(C)C
Complexity:
440
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
CatalogNumber: AA54618
ChemicalName: 4-Ethoxy-3-nitrophenylboronic acid, pinacol ester
CasNumber: 1218791-20-8
MolecularFormula: C14H20BNO5
MolecularWeight: 293.1233
MdlNumber: MFCD12913978
Smiles: CCOc1ccc(cc1[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Complexity: 379
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
CatalogNumber:
AA54618
ChemicalName:
4-Ethoxy-3-nitrophenylboronic acid, pinacol ester
CasNumber:
1218791-20-8
MolecularFormula:
C14H20BNO5
MolecularWeight:
293.1233
MdlNumber:
MFCD12913978
Smiles:
CCOc1ccc(cc1[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Complexity:
379
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
CatalogNumber: AA54619
ChemicalName: 2,3-Difluoro-5-(methoxycarbonyl)phenylboronic acid, pinacol ester
CasNumber: 1218791-19-5
MolecularFormula: C14H17BF2O4
MolecularWeight: 298.0902
MdlNumber: MFCD12026086
Smiles: COC(=O)c1cc(F)c(c(c1)B1OC(C(O1)(C)C)(C)C)F
Complexity: 400
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 3
CatalogNumber:
AA54619
ChemicalName:
2,3-Difluoro-5-(methoxycarbonyl)phenylboronic acid, pinacol ester
CasNumber:
1218791-19-5
MolecularFormula:
C14H17BF2O4
MolecularWeight:
298.0902
MdlNumber:
MFCD12026086
Smiles:
COC(=O)c1cc(F)c(c(c1)B1OC(C(O1)(C)C)(C)C)F
Complexity:
400
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
3