AA54625
1218791-11-7 | 4-Carboxy-2-nitrophenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA54625
ChemicalName
4-Carboxy-2-nitrophenylboronic acid, pinacol ester
CasNumber
1218791-11-7
MolecularFormula
C13H16BNO6
MolecularWeight
293.0802
MdlNumber
MFCD12546615
Smiles
[O-][N+](=O)c1cc(ccc1B1OC(C(O1)(C)C)(C)C)C(=O)O
Complexity
430
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AA54625
ChemicalName: 4-Carboxy-2-nitrophenylboronic acid, pinacol ester
CasNumber: 1218791-11-7
MolecularFormula: C13H16BNO6
MolecularWeight: 293.0802
MdlNumber: MFCD12546615
Smiles: [O-][N+](=O)c1cc(ccc1B1OC(C(O1)(C)C)(C)C)C(=O)O
Complexity: 430
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AA54625
ChemicalName:
4-Carboxy-2-nitrophenylboronic acid, pinacol ester
CasNumber:
1218791-11-7
MolecularFormula:
C13H16BNO6
MolecularWeight:
293.0802
MdlNumber:
MFCD12546615
Smiles:
[O-][N+](=O)c1cc(ccc1B1OC(C(O1)(C)C)(C)C)C(=O)O
Complexity:
430
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc2c(c1)n(C(=O)OC(C)(C)C)c(c2)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc2c(c1)n(C(=O)OC(C)(C)C)c(c2)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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CatalogNumber: AA54627
ChemicalName: 4-Fluoro-3-nitrophenylboronic acid, pinacol ester
CasNumber: 1218791-09-3
MolecularFormula: C12H15BFNO4
MolecularWeight: 267.0612
MdlNumber: MFCD12546515
Smiles: [O-][N+](=O)c1cc(ccc1F)B1OC(C(O1)(C)C)(C)C
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
CatalogNumber:
AA54627
ChemicalName:
4-Fluoro-3-nitrophenylboronic acid, pinacol ester
CasNumber:
1218791-09-3
MolecularFormula:
C12H15BFNO4
MolecularWeight:
267.0612
MdlNumber:
MFCD12546515
Smiles:
[O-][N+](=O)c1cc(ccc1F)B1OC(C(O1)(C)C)(C)C
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccc(o1)B1OCC(CO1)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccc(o1)B1OCC(CO1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__