AA54614
1218791-27-5 | 5-Cyano-2-nitrophenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA54614
ChemicalName
5-Cyano-2-nitrophenylboronic acid, pinacol ester
CasNumber
1218791-27-5
MolecularFormula
C13H15BN2O4
MolecularWeight
274.0802
MdlNumber
MFCD12546471
Smiles
N#Cc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Complexity
435
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
RotatableBondCount
1
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CatalogNumber: AA54614
ChemicalName: 5-Cyano-2-nitrophenylboronic acid, pinacol ester
CasNumber: 1218791-27-5
MolecularFormula: C13H15BN2O4
MolecularWeight: 274.0802
MdlNumber: MFCD12546471
Smiles: N#Cc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Complexity: 435
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
CatalogNumber:
AA54614
ChemicalName:
5-Cyano-2-nitrophenylboronic acid, pinacol ester
CasNumber:
1218791-27-5
MolecularFormula:
C13H15BN2O4
MolecularWeight:
274.0802
MdlNumber:
MFCD12546471
Smiles:
N#Cc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Complexity:
435
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(c1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-])(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-])(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
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
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
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
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
RotatableBondCount:
3