AB69340
957035-00-6 | 4-(2-(4-Hydroxyisopropyl-1,2,3-triazol-1-yl)ethoxy)phenylboronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AB69340
ChemicalName
4-(2-(4-Hydroxyisopropyl-1,2,3-triazol-1-yl)ethoxy)phenylboronic acid pinacol ester
CasNumber
957035-00-6
MolecularFormula
C19H28BN3O4
MolecularWeight
373.2543
MdlNumber
MFCD09475862
Smiles
CC(c1c(O)nnn1CCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
Complexity
481
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
6
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CatalogNumber: AB69340
ChemicalName: 4-(2-(4-Hydroxyisopropyl-1,2,3-triazol-1-yl)ethoxy)phenylboronic acid pinacol ester
CasNumber: 957035-00-6
MolecularFormula: C19H28BN3O4
MolecularWeight: 373.2543
MdlNumber: MFCD09475862
Smiles: CC(c1c(O)nnn1CCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
Complexity: 481
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 6
CatalogNumber:
AB69340
ChemicalName:
4-(2-(4-Hydroxyisopropyl-1,2,3-triazol-1-yl)ethoxy)phenylboronic acid pinacol ester
CasNumber:
957035-00-6
MolecularFormula:
C19H28BN3O4
MolecularWeight:
373.2543
MdlNumber:
MFCD09475862
Smiles:
CC(c1c(O)nnn1CCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
Complexity:
481
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
6
CatalogNumber: AB69341
ChemicalName: 5-Isopropyl-1,3-cyclohexanedione
CasNumber: 18456-87-6
MolecularFormula: C9H14O2
MolecularWeight: 154.2063
MdlNumber: MFCD00150873
Smiles: CC(C1CC(=O)CC(=O)C1)C
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
CatalogNumber:
AB69341
ChemicalName:
5-Isopropyl-1,3-cyclohexanedione
CasNumber:
18456-87-6
MolecularFormula:
C9H14O2
MolecularWeight:
154.2063
MdlNumber:
MFCD00150873
Smiles:
CC(C1CC(=O)CC(=O)C1)C
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cc(ccc1OC)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cc(ccc1OC)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccc(c(c1)O)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccc(c(c1)O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__