AH84339
913836-17-6 | Methyl 5-bromo-2-hydroxyisonicotinate
Manufacturer: A2B Chem
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CatalogNumber
AH84339
ChemicalName
Methyl 5-bromo-2-hydroxyisonicotinate
CasNumber
913836-17-6
MolecularFormula
C7H6BrNO3
MolecularWeight
232.0314
MdlNumber
MFCD09027265
Smiles
COC(=O)c1cc(O)ncc1Br
Complexity
293
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.2
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CatalogNumber: AH84339
ChemicalName: Methyl 5-bromo-2-hydroxyisonicotinate
CasNumber: 913836-17-6
MolecularFormula: C7H6BrNO3
MolecularWeight: 232.0314
MdlNumber: MFCD09027265
Smiles: COC(=O)c1cc(O)ncc1Br
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AH84339
ChemicalName:
Methyl 5-bromo-2-hydroxyisonicotinate
CasNumber:
913836-17-6
MolecularFormula:
C7H6BrNO3
MolecularWeight:
232.0314
MdlNumber:
MFCD09027265
Smiles:
COC(=O)c1cc(O)ncc1Br
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: AH84340
ChemicalName: N-Methoxy-N-methyl 4-borono-2-fluorobenzamide
CasNumber: 913835-59-3
MolecularFormula: C9H11BFNO4
MolecularWeight: 226.9973
MdlNumber: MFCD08689477
Smiles: CON(C(=O)c1ccc(cc1F)B(O)O)C
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AH84340
ChemicalName:
N-Methoxy-N-methyl 4-borono-2-fluorobenzamide
CasNumber:
913835-59-3
MolecularFormula:
C9H11BFNO4
MolecularWeight:
226.9973
MdlNumber:
MFCD08689477
Smiles:
CON(C(=O)c1ccc(cc1F)B(O)O)C
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cccc(c1)S(=O)(=O)N1CCCC1
Complexity: 304
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cccc(c1)S(=O)(=O)N1CCCC1
Complexity:
304
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: AH84342
ChemicalName: 4-(4-(2-Hydroxyethyl)piperazinocarbonyl)phenylboronic acid HCl
CasNumber: 913835-44-6
MolecularFormula: C13H20BClN2O4
MolecularWeight: 314.5729
MdlNumber: MFCD09027218
Smiles: OCCN1CCN(CC1)C(=O)c1ccc(cc1)B(O)O.Cl
Complexity: 314
Covalently-bondedUnitCount: 2
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 4
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AH84342
ChemicalName:
4-(4-(2-Hydroxyethyl)piperazinocarbonyl)phenylboronic acid HCl
CasNumber:
913835-44-6
MolecularFormula:
C13H20BClN2O4
MolecularWeight:
314.5729
MdlNumber:
MFCD09027218
Smiles:
OCCN1CCN(CC1)C(=O)c1ccc(cc1)B(O)O.Cl
Complexity:
314
Covalently-bondedUnitCount:
2
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
4
RotatableBondCount:
4
Xlogp3:
__