AE11458
1056039-83-8 | 2-(2-Methyl-2h-tetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Manufacturer: A2B Chem
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CatalogNumber
AE11458
ChemicalName
2-(2-Methyl-2h-tetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CasNumber
1056039-83-8
MolecularFormula
C13H18BN5O2
MolecularWeight
287.12531999999993
MdlNumber
MFCD18382903
Smiles
Cn1nnc(n1)c1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity
379
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
RotatableBondCount
2
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CatalogNumber: AE11458
ChemicalName: 2-(2-Methyl-2h-tetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CasNumber: 1056039-83-8
MolecularFormula: C13H18BN5O2
MolecularWeight: 287.12531999999993
MdlNumber: MFCD18382903
Smiles: Cn1nnc(n1)c1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity: 379
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
CatalogNumber:
AE11458
ChemicalName:
2-(2-Methyl-2h-tetrazol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CasNumber:
1056039-83-8
MolecularFormula:
C13H18BN5O2
MolecularWeight:
287.12531999999993
MdlNumber:
MFCD18382903
Smiles:
Cn1nnc(n1)c1ccc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity:
379
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
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Smiles: Clc1cccc(c1)[C@]1(O)OCC(N[C@H]1C)(C)C.Cl
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Smiles:
Clc1cccc(c1)[C@]1(O)OCC(N[C@H]1C)(C)C.Cl
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Smiles: OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]([C@@H]([C@H]2O)O)C)Oc2c(oc3c(c2=O)c(O)cc(c3CC=C(C)C)O)c2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O
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OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]([C@@H]([C@H]2O)O)C)Oc2c(oc3c(c2=O)c(O)cc(c3CC=C(C)C)O)c2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O
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Smiles: COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O
Complexity: __
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Smiles:
COc1ccc(cc1)c1oc2c(CC=C(C)C)c(O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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