AX55396
2096333-72-9 | 3-Chloro-2-(N-ethylaminomethyl)phenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AX55396
ChemicalName
3-Chloro-2-(N-ethylaminomethyl)phenylboronic acid, pinacol ester
CasNumber
2096333-72-9
MolecularFormula
C15H23BClNO2
MolecularWeight
295.6126
MdlNumber
MFCD20441919
Smiles
CCNCc1c(Cl)cccc1B1OC(C(O1)(C)C)(C)C
Complexity
322
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
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CatalogNumber: AX55396
ChemicalName: 3-Chloro-2-(N-ethylaminomethyl)phenylboronic acid, pinacol ester
CasNumber: 2096333-72-9
MolecularFormula: C15H23BClNO2
MolecularWeight: 295.6126
MdlNumber: MFCD20441919
Smiles: CCNCc1c(Cl)cccc1B1OC(C(O1)(C)C)(C)C
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
CatalogNumber:
AX55396
ChemicalName:
3-Chloro-2-(N-ethylaminomethyl)phenylboronic acid, pinacol ester
CasNumber:
2096333-72-9
MolecularFormula:
C15H23BClNO2
MolecularWeight:
295.6126
MdlNumber:
MFCD20441919
Smiles:
CCNCc1c(Cl)cccc1B1OC(C(O1)(C)C)(C)C
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)Cl)C.Cl
Complexity: 333
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)Cl)C.Cl
Complexity:
333
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1B1OC(C(O1)(C)C)(C)C)CN1CCOCC1
Complexity: 399
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(cc1B1OC(C(O1)(C)C)(C)C)CN1CCOCC1
Complexity:
399
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AX55399
ChemicalName: 1-(2,5-Dimethoxyphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber: 2096997-11-2
MolecularFormula: C21H27BN2O5
MolecularWeight: 398.2605
MdlNumber: MFCD20231485
Smiles: COc1ccc(cc1NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC
Complexity: 557
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
CatalogNumber:
AX55399
ChemicalName:
1-(2,5-Dimethoxyphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CasNumber:
2096997-11-2
MolecularFormula:
C21H27BN2O5
MolecularWeight:
398.2605
MdlNumber:
MFCD20231485
Smiles:
COc1ccc(cc1NC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC
Complexity:
557
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5