AX55207
2096335-15-6 | 2-Butoxy-4-(trifluoromethyl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AX55207
ChemicalName
2-Butoxy-4-(trifluoromethyl)phenylboronic acid
CasNumber
2096335-15-6
MolecularFormula
C11H14BF3O3
MolecularWeight
262.0333
MdlNumber
MFCD20441799
Smiles
CCCCOc1cc(ccc1B(O)O)C(F)(F)F
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
5
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CatalogNumber: AX55207
ChemicalName: 2-Butoxy-4-(trifluoromethyl)phenylboronic acid
CasNumber: 2096335-15-6
MolecularFormula: C11H14BF3O3
MolecularWeight: 262.0333
MdlNumber: MFCD20441799
Smiles: CCCCOc1cc(ccc1B(O)O)C(F)(F)F
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 5
CatalogNumber:
AX55207
ChemicalName:
2-Butoxy-4-(trifluoromethyl)phenylboronic acid
CasNumber:
2096335-15-6
MolecularFormula:
C11H14BF3O3
MolecularWeight:
262.0333
MdlNumber:
MFCD20441799
Smiles:
CCCCOc1cc(ccc1B(O)O)C(F)(F)F
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
5
CatalogNumber: AX55208
ChemicalName: 2-Chloro-5-(piperidinomethyl)phenylboronic acid, pinacol ester
CasNumber: 2096334-70-0
MolecularFormula: C18H27BClNO2
MolecularWeight: 335.6765
MdlNumber: MFCD18783190
Smiles: Clc1ccc(cc1B1OC(C(O1)(C)C)(C)C)CN1CCCCC1
Complexity: 396
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
CatalogNumber:
AX55208
ChemicalName:
2-Chloro-5-(piperidinomethyl)phenylboronic acid, pinacol ester
CasNumber:
2096334-70-0
MolecularFormula:
C18H27BClNO2
MolecularWeight:
335.6765
MdlNumber:
MFCD18783190
Smiles:
Clc1ccc(cc1B1OC(C(O1)(C)C)(C)C)CN1CCCCC1
Complexity:
396
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
CatalogNumber: AX55209
ChemicalName: 1-(4-Methoxy-2-methylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber: 2096997-05-4
MolecularFormula: C21H27BN2O4
MolecularWeight: 382.2611
MdlNumber: MFCD20231480
Smiles: COc1ccc(c(c1)C)NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 541
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AX55209
ChemicalName:
1-(4-Methoxy-2-methylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber:
2096997-05-4
MolecularFormula:
C21H27BN2O4
MolecularWeight:
382.2611
MdlNumber:
MFCD20231480
Smiles:
COc1ccc(c(c1)C)NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
541
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cc(cc(c1)[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Complexity: 435
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cc(cc(c1)[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Complexity:
435
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__