AI02704
944401-58-5 | 2-Amino-4-trifluoropyrimidine-5-boronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI02704
ChemicalName
2-Amino-4-trifluoropyrimidine-5-boronic acid pinacol ester
CasNumber
944401-58-5
MolecularFormula
C11H15BF3N3O2
MolecularWeight
289.0619
MdlNumber
MFCD09952051
Smiles
Nc1ncc(c(n1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity
362
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
1
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CatalogNumber: AI02704
ChemicalName: 2-Amino-4-trifluoropyrimidine-5-boronic acid pinacol ester
CasNumber: 944401-58-5
MolecularFormula: C11H15BF3N3O2
MolecularWeight: 289.0619
MdlNumber: MFCD09952051
Smiles: Nc1ncc(c(n1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity: 362
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AI02704
ChemicalName:
2-Amino-4-trifluoropyrimidine-5-boronic acid pinacol ester
CasNumber:
944401-58-5
MolecularFormula:
C11H15BF3N3O2
MolecularWeight:
289.0619
MdlNumber:
MFCD09952051
Smiles:
Nc1ncc(c(n1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity:
362
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
1
CatalogNumber: AI02705
ChemicalName: 2-Acetamido-5-chloroisonicotinic acid
CasNumber: 944390-08-3
MolecularFormula: C8H7ClN2O3
MolecularWeight: 214.6058
MdlNumber: MFCD17015849
Smiles: CC(=O)Nc1ncc(c(c1)C(=O)O)Cl
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AI02705
ChemicalName:
2-Acetamido-5-chloroisonicotinic acid
CasNumber:
944390-08-3
MolecularFormula:
C8H7ClN2O3
MolecularWeight:
214.6058
MdlNumber:
MFCD17015849
Smiles:
CC(=O)Nc1ncc(c(c1)C(=O)O)Cl
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
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Smiles: Oc1ccc(c(c1)c1ccc(cc1)Oc1ccccc1)O
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Smiles:
Oc1ccc(c(c1)c1ccc(cc1)Oc1ccccc1)O
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Smiles: COc1cccc(c1C=C)C(=O)O
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Smiles:
COc1cccc(c1C=C)C(=O)O
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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