AX55500
2096329-98-3 | 2-(N-Butylaminomethyl-5-fluorophenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AX55500
ChemicalName
2-(N-Butylaminomethyl-5-fluorophenylboronic acid, pinacol ester
CasNumber
2096329-98-3
MolecularFormula
C17H27BFNO2
MolecularWeight
307.2112
MdlNumber
MFCD18087739
Smiles
CCCCNCc1ccc(cc1B1OC(C(O1)(C)C)(C)C)F
Complexity
349
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
6
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CatalogNumber: AX55500
ChemicalName: 2-(N-Butylaminomethyl-5-fluorophenylboronic acid, pinacol ester
CasNumber: 2096329-98-3
MolecularFormula: C17H27BFNO2
MolecularWeight: 307.2112
MdlNumber: MFCD18087739
Smiles: CCCCNCc1ccc(cc1B1OC(C(O1)(C)C)(C)C)F
Complexity: 349
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
CatalogNumber:
AX55500
ChemicalName:
2-(N-Butylaminomethyl-5-fluorophenylboronic acid, pinacol ester
CasNumber:
2096329-98-3
MolecularFormula:
C17H27BFNO2
MolecularWeight:
307.2112
MdlNumber:
MFCD18087739
Smiles:
CCCCNCc1ccc(cc1B1OC(C(O1)(C)C)(C)C)F
Complexity:
349
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
CatalogNumber: AX55501
ChemicalName: 3-Bromo-5-(piperidin-1-yl)phenylboronic acid
CasNumber: 2096333-12-7
MolecularFormula: C11H15BBrNO2
MolecularWeight: 283.9573
MdlNumber: MFCD18783128
Smiles: Brc1cc(cc(c1)B(O)O)N1CCCCC1
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AX55501
ChemicalName:
3-Bromo-5-(piperidin-1-yl)phenylboronic acid
CasNumber:
2096333-12-7
MolecularFormula:
C11H15BBrNO2
MolecularWeight:
283.9573
MdlNumber:
MFCD18783128
Smiles:
Brc1cc(cc(c1)B(O)O)N1CCCCC1
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1c(cccc1F)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1c(cccc1F)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AX55504
ChemicalName: 4-Bromo-2-fluoro-5-methylphenylboronic acid, pinacol ester
CasNumber: 2096334-00-6
MolecularFormula: C13H17BBrFO2
MolecularWeight: 314.9863
MdlNumber: MFCD20441907
Smiles: CC1(C)OB(OC1(C)C)c1cc(C)c(cc1F)Br
Complexity: 308
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
CatalogNumber:
AX55504
ChemicalName:
4-Bromo-2-fluoro-5-methylphenylboronic acid, pinacol ester
CasNumber:
2096334-00-6
MolecularFormula:
C13H17BBrFO2
MolecularWeight:
314.9863
MdlNumber:
MFCD20441907
Smiles:
CC1(C)OB(OC1(C)C)c1cc(C)c(cc1F)Br
Complexity:
308
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1