AA54652
1218791-32-2 | 2,6-Difluoro-4-(methoxycarbonyl)phenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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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
RotatableBondCount
3
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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
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
RotatableBondCount:
3
CatalogNumber: AA54653
ChemicalName: 2-Methoxycarbonyl-3-methylpyridine-5-boronic acid pinacol ester
CasNumber: 1218791-31-1
MolecularFormula: C14H20BNO4
MolecularWeight: 277.1239
MdlNumber: MFCD13195755
Smiles: COC(=O)c1ncc(cc1C)B1OC(C(O1)(C)C)(C)C
Complexity: 369
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
CatalogNumber:
AA54653
ChemicalName:
2-Methoxycarbonyl-3-methylpyridine-5-boronic acid pinacol ester
CasNumber:
1218791-31-1
MolecularFormula:
C14H20BNO4
MolecularWeight:
277.1239
MdlNumber:
MFCD13195755
Smiles:
COC(=O)c1ncc(cc1C)B1OC(C(O1)(C)C)(C)C
Complexity:
369
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
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Smiles: CC(OC(=O)c1cc(C)cc(c1)B1OC(C(O1)(C)C)(C)C)C
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CC(OC(=O)c1cc(C)cc(c1)B1OC(C(O1)(C)C)(C)C)C
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Smiles: CSCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccc(cc1)O
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Smiles:
CSCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccc(cc1)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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