AB54954
957061-03-9 | 3-(2-(Pyrrolidin-1-yl)ethylcarbamoyl)phenylboronic acid, HCl
Manufacturer: A2B Chem
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CatalogNumber
AB54954
ChemicalName
3-(2-(Pyrrolidin-1-yl)ethylcarbamoyl)phenylboronic acid, HCl
CasNumber
957061-03-9
MolecularFormula
C13H20BClN2O3
MolecularWeight
298.5735
MdlNumber
MFCD09027257
Smiles
O=C(c1cccc(c1)B(O)O)NCCN1CCCC1.Cl
Complexity
296
Covalently-bondedUnitCount
2
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
4
RotatableBondCount
5
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CatalogNumber: AB54954
ChemicalName: 3-(2-(Pyrrolidin-1-yl)ethylcarbamoyl)phenylboronic acid, HCl
CasNumber: 957061-03-9
MolecularFormula: C13H20BClN2O3
MolecularWeight: 298.5735
MdlNumber: MFCD09027257
Smiles: O=C(c1cccc(c1)B(O)O)NCCN1CCCC1.Cl
Complexity: 296
Covalently-bondedUnitCount: 2
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 4
RotatableBondCount: 5
CatalogNumber:
AB54954
ChemicalName:
3-(2-(Pyrrolidin-1-yl)ethylcarbamoyl)phenylboronic acid, HCl
CasNumber:
957061-03-9
MolecularFormula:
C13H20BClN2O3
MolecularWeight:
298.5735
MdlNumber:
MFCD09027257
Smiles:
O=C(c1cccc(c1)B(O)O)NCCN1CCCC1.Cl
Complexity:
296
Covalently-bondedUnitCount:
2
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
4
RotatableBondCount:
5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCCNC(=O)c1cccc(c1)B(O)O
Complexity: 216
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCCNC(=O)c1cccc(c1)B(O)O
Complexity:
216
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB54956
ChemicalName: 3-(2'-Fluorobenzyloxy)phenylboronic acid
CasNumber: 849062-13-1
MolecularFormula: C13H12BFO3
MolecularWeight: 246.042
MdlNumber: MFCD07369750
Smiles: Fc1ccccc1COc1cccc(c1)B(O)O
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AB54956
ChemicalName:
3-(2'-Fluorobenzyloxy)phenylboronic acid
CasNumber:
849062-13-1
MolecularFormula:
C13H12BFO3
MolecularWeight:
246.042
MdlNumber:
MFCD07369750
Smiles:
Fc1ccccc1COc1cccc(c1)B(O)O
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1cccc(c1)B(O)O)Nc1cccc(c1C)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1cccc(c1)B(O)O)Nc1cccc(c1C)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__