AX55175
2096333-97-8 | 4-Chloro-2-(N-methylaminomethyl)phenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AX55175
ChemicalName
4-Chloro-2-(N-methylaminomethyl)phenylboronic acid, pinacol ester
CasNumber
2096333-97-8
MolecularFormula
C14H21BClNO2
MolecularWeight
281.586
MdlNumber
MFCD18730284
Smiles
CNCc1cc(Cl)ccc1B1OC(C(O1)(C)C)(C)C
Complexity
309
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
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CatalogNumber: AX55175
ChemicalName: 4-Chloro-2-(N-methylaminomethyl)phenylboronic acid, pinacol ester
CasNumber: 2096333-97-8
MolecularFormula: C14H21BClNO2
MolecularWeight: 281.586
MdlNumber: MFCD18730284
Smiles: CNCc1cc(Cl)ccc1B1OC(C(O1)(C)C)(C)C
Complexity: 309
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AX55175
ChemicalName:
4-Chloro-2-(N-methylaminomethyl)phenylboronic acid, pinacol ester
CasNumber:
2096333-97-8
MolecularFormula:
C14H21BClNO2
MolecularWeight:
281.586
MdlNumber:
MFCD18730284
Smiles:
CNCc1cc(Cl)ccc1B1OC(C(O1)(C)C)(C)C
Complexity:
309
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
CatalogNumber: AX55176
ChemicalName: 4-Cyano-3-isobutoxyphenylboronic acid
CasNumber: 2096335-50-9
MolecularFormula: C11H14BNO3
MolecularWeight: 219.0448
MdlNumber: MFCD19684100
Smiles: OB(c1ccc(c(c1)OCC(C)C)C#N)O
Complexity: 261
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AX55176
ChemicalName:
4-Cyano-3-isobutoxyphenylboronic acid
CasNumber:
2096335-50-9
MolecularFormula:
C11H14BNO3
MolecularWeight:
219.0448
MdlNumber:
MFCD19684100
Smiles:
OB(c1ccc(c(c1)OCC(C)C)C#N)O
Complexity:
261
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: AX55177
ChemicalName: 2-Chloro-6-(4-methoxybenzyloxy)pyridine-4-boronic acid, pinacol ester
CasNumber: 2096331-22-3
MolecularFormula: C19H23BClNO4
MolecularWeight: 375.6542
MdlNumber: MFCD20441902
Smiles: COc1ccc(cc1)COc1cc(cc(n1)Cl)B1OC(C(O1)(C)C)(C)C
Complexity: 455
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 5
CatalogNumber:
AX55177
ChemicalName:
2-Chloro-6-(4-methoxybenzyloxy)pyridine-4-boronic acid, pinacol ester
CasNumber:
2096331-22-3
MolecularFormula:
C19H23BClNO4
MolecularWeight:
375.6542
MdlNumber:
MFCD20441902
Smiles:
COc1ccc(cc1)COc1cc(cc(n1)Cl)B1OC(C(O1)(C)C)(C)C
Complexity:
455
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
5
CatalogNumber: AX55178
ChemicalName: 2-[N-(Methoxymethyl)methanesulfonamido]pyrimidine-5-boronic acid
CasNumber: 2096338-10-0
MolecularFormula: C7H12BN3O5S
MolecularWeight: 261.0633
MdlNumber: MFCD18334806
Smiles: COCN(S(=O)(=O)C)c1ncc(cn1)B(O)O
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 5
CatalogNumber:
AX55178
ChemicalName:
2-[N-(Methoxymethyl)methanesulfonamido]pyrimidine-5-boronic acid
CasNumber:
2096338-10-0
MolecularFormula:
C7H12BN3O5S
MolecularWeight:
261.0633
MdlNumber:
MFCD18334806
Smiles:
COCN(S(=O)(=O)C)c1ncc(cn1)B(O)O
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
5