AB56348
957120-67-1 | 4-(2-(4-(THPO-methyl)-1,2,3-triazol-1-yl)ethoxy)phenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AB56348
ChemicalName
4-(2-(4-(THPO-methyl)-1,2,3-triazol-1-yl)ethoxy)phenylboronic acid, pinacol ester
CasNumber
957120-67-1
MolecularFormula
C17H22BN3O3S
MolecularWeight
359.2509
MdlNumber
MFCD09801044
Smiles
S=Cc1nnn(c1)CCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity
456
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
6
RotatableBondCount
6
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CatalogNumber: AB56348
ChemicalName: 4-(2-(4-(THPO-methyl)-1,2,3-triazol-1-yl)ethoxy)phenylboronic acid, pinacol ester
CasNumber: 957120-67-1
MolecularFormula: C17H22BN3O3S
MolecularWeight: 359.2509
MdlNumber: MFCD09801044
Smiles: S=Cc1nnn(c1)CCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity: 456
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 6
RotatableBondCount: 6
CatalogNumber:
AB56348
ChemicalName:
4-(2-(4-(THPO-methyl)-1,2,3-triazol-1-yl)ethoxy)phenylboronic acid, pinacol ester
CasNumber:
957120-67-1
MolecularFormula:
C17H22BN3O3S
MolecularWeight:
359.2509
MdlNumber:
MFCD09801044
Smiles:
S=Cc1nnn(c1)CCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity:
456
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
6
RotatableBondCount:
6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1)OCCN1CCCC1
Complexity: 175
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1)OCCN1CCCC1
Complexity:
175
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: AB56350
ChemicalName: 1-(2-(4-Nitrophenoxy)ethyl)piperidine
CasNumber: 92033-76-6
MolecularFormula: C13H18N2O3
MolecularWeight: 250.2936
MdlNumber: MFCD01308502
Smiles: [O-][N+](=O)c1ccc(cc1)OCCN1CCCCC1
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
CatalogNumber:
AB56350
ChemicalName:
1-(2-(4-Nitrophenoxy)ethyl)piperidine
CasNumber:
92033-76-6
MolecularFormula:
C13H18N2O3
MolecularWeight:
250.2936
MdlNumber:
MFCD01308502
Smiles:
[O-][N+](=O)c1ccc(cc1)OCCN1CCCCC1
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(c1c(F)c(F)c(c(c1F)F)F)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(c1c(F)c(F)c(c(c1F)F)F)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__