AB77751
956128-05-5 | 2-Phenylaminopyrimidine-5-boronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AB77751
ChemicalName
2-Phenylaminopyrimidine-5-boronic acid, pinacol ester
CasNumber
956128-05-5
MolecularFormula
C16H20BN3O2
MolecularWeight
297.1599
MdlNumber
MFCD12546565
Smiles
CC1(C)OB(OC1(C)C)c1cnc(nc1)Nc1ccccc1
Complexity
362
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
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CatalogNumber: AB77751
ChemicalName: 2-Phenylaminopyrimidine-5-boronic acid, pinacol ester
CasNumber: 956128-05-5
MolecularFormula: C16H20BN3O2
MolecularWeight: 297.1599
MdlNumber: MFCD12546565
Smiles: CC1(C)OB(OC1(C)C)c1cnc(nc1)Nc1ccccc1
Complexity: 362
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AB77751
ChemicalName:
2-Phenylaminopyrimidine-5-boronic acid, pinacol ester
CasNumber:
956128-05-5
MolecularFormula:
C16H20BN3O2
MolecularWeight:
297.1599
MdlNumber:
MFCD12546565
Smiles:
CC1(C)OB(OC1(C)C)c1cnc(nc1)Nc1ccccc1
Complexity:
362
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
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Smiles: c1ccc(cc1)Nc1c2ccccc2cc2c1cccc2
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Smiles:
c1ccc(cc1)Nc1c2ccccc2cc2c1cccc2
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Smiles: c1ccc(cc1)Nc1[nH]cnc2-c1ncn2
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Smiles:
c1ccc(cc1)Nc1[nH]cnc2-c1ncn2
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Smiles: C1COCCN(CCOCCOCCO1)c1ccccc1
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Smiles:
C1COCCN(CCOCCOCCO1)c1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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