AI58726
877399-34-3 | tert-Butyl 3-(4-bromopyrazol-1-yl)azetidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI58726
ChemicalName
tert-Butyl 3-(4-bromopyrazol-1-yl)azetidine-1-carboxylate
CasNumber
877399-34-3
MolecularFormula
C11H16BrN3O2
MolecularWeight
302.1676
MdlNumber
MFCD17480368
Smiles
O=C(N1CC(C1)n1ncc(c1)Br)OC(C)(C)C
Complexity
300
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AI58726
ChemicalName: tert-Butyl 3-(4-bromopyrazol-1-yl)azetidine-1-carboxylate
CasNumber: 877399-34-3
MolecularFormula: C11H16BrN3O2
MolecularWeight: 302.1676
MdlNumber: MFCD17480368
Smiles: O=C(N1CC(C1)n1ncc(c1)Br)OC(C)(C)C
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AI58726
ChemicalName:
tert-Butyl 3-(4-bromopyrazol-1-yl)azetidine-1-carboxylate
CasNumber:
877399-34-3
MolecularFormula:
C11H16BrN3O2
MolecularWeight:
302.1676
MdlNumber:
MFCD17480368
Smiles:
O=C(N1CC(C1)n1ncc(c1)Br)OC(C)(C)C
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.6
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
Xlogp3: __
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
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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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
Complexity: __
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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
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OCc1cccnc1NC(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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MolecularFormula:
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Smiles:
OCc1cccnc1NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__