AI58727
877399-35-4 | tert-Butyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI58727
ChemicalName
tert-Butyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidine-1-carboxylate
CasNumber
877399-35-4
MolecularFormula
C17H28BN3O4
MolecularWeight
349.2329
MdlNumber
MFCD18383285
Smiles
O=C(N1CC(C1)n1ncc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity
513
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
RotatableBondCount
4
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CatalogNumber: AI58727
ChemicalName: tert-Butyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidine-1-carboxylate
CasNumber: 877399-35-4
MolecularFormula: C17H28BN3O4
MolecularWeight: 349.2329
MdlNumber: MFCD18383285
Smiles: O=C(N1CC(C1)n1ncc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: 513
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
CatalogNumber:
AI58727
ChemicalName:
tert-Butyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidine-1-carboxylate
CasNumber:
877399-35-4
MolecularFormula:
C17H28BN3O4
MolecularWeight:
349.2329
MdlNumber:
MFCD18383285
Smiles:
O=C(N1CC(C1)n1ncc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
513
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
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Smiles: Brc1cnc(c(c1)O[C@@H](c1c(Cl)ccc(c1Cl)F)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
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Brc1cnc(c(c1)O[C@@H](c1c(Cl)ccc(c1Cl)F)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
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Smiles: OCc1cccnc1NC(=O)OC(C)(C)C
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OCc1cccnc1NC(=O)OC(C)(C)C
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Smiles: COC(=O)Cc1ccc(cc1)c1cccc(c1)C(F)(F)F
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Smiles:
COC(=O)Cc1ccc(cc1)c1cccc(c1)C(F)(F)F
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HydrogenBondAcceptorCount:
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