AA85877
1638329-59-5 | 3-Acetamido-4-fluorophenylboronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA85877
ChemicalName
3-Acetamido-4-fluorophenylboronic acid pinacol ester
CasNumber
1638329-59-5
MolecularFormula
C14H19BFNO3
MolecularWeight
279.115
MdlNumber
MFCD26141999
Smiles
CC(=O)Nc1cc(ccc1F)B1OC(C(O1)(C)C)(C)C
Complexity
373
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AA85877
ChemicalName: 3-Acetamido-4-fluorophenylboronic acid pinacol ester
CasNumber: 1638329-59-5
MolecularFormula: C14H19BFNO3
MolecularWeight: 279.115
MdlNumber: MFCD26141999
Smiles: CC(=O)Nc1cc(ccc1F)B1OC(C(O1)(C)C)(C)C
Complexity: 373
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AA85877
ChemicalName:
3-Acetamido-4-fluorophenylboronic acid pinacol ester
CasNumber:
1638329-59-5
MolecularFormula:
C14H19BFNO3
MolecularWeight:
279.115
MdlNumber:
MFCD26141999
Smiles:
CC(=O)Nc1cc(ccc1F)B1OC(C(O1)(C)C)(C)C
Complexity:
373
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
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Smiles: O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(nn1)c1ccccc1
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Smiles:
O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1ccc(nn1)c1ccccc1
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Smiles: OC1[C@H]2CO[P@@](=O)(S)O[C@@H]3[C@@H](CO[P@](=O)(O[C@H]1[C@@H](O2)n1cnc2c1ncnc2N)S)O[C@H]([C@@H]3O)n1cnc2c1ncnc2N
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Smiles:
OC1[C@H]2CO[P@@](=O)(S)O[C@@H]3[C@@H](CO[P@](=O)(O[C@H]1[C@@H](O2)n1cnc2c1ncnc2N)S)O[C@H]([C@@H]3O)n1cnc2c1ncnc2N
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Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[C@@H](c1ccc(cc1)Cl)c1ccccc1
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Smiles:
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)[C@@H](c1ccc(cc1)Cl)c1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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