AC96622
938080-25-2 | 1-Phenylvinylboronic acid, neopentyl glycol ester
Manufacturer: A2B Chem
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CatalogNumber
AC96622
ChemicalName
1-Phenylvinylboronic acid, neopentyl glycol ester
CasNumber
938080-25-2
MolecularFormula
C13H17BO2
MolecularWeight
216.08388
MdlNumber
MFCD11504945
Smiles
C=C(c1ccccc1)B1OCC(CO1)(C)C
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
RotatableBondCount
2
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CatalogNumber: AC96622
ChemicalName: 1-Phenylvinylboronic acid, neopentyl glycol ester
CasNumber: 938080-25-2
MolecularFormula: C13H17BO2
MolecularWeight: 216.08388
MdlNumber: MFCD11504945
Smiles: C=C(c1ccccc1)B1OCC(CO1)(C)C
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
CatalogNumber:
AC96622
ChemicalName:
1-Phenylvinylboronic acid, neopentyl glycol ester
CasNumber:
938080-25-2
MolecularFormula:
C13H17BO2
MolecularWeight:
216.08388
MdlNumber:
MFCD11504945
Smiles:
C=C(c1ccccc1)B1OCC(CO1)(C)C
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
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Smiles: Nc1ccc(cc1)N(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
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Smiles:
Nc1ccc(cc1)N(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
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Smiles: CCCCCCCCCCCCCCCCCC(=O)N(CCN(CC(=O)O)CC(=O)[O-])CCO.[Na+]
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CCCCCCCCCCCCCCCCCC(=O)N(CCN(CC(=O)O)CC(=O)[O-])CCO.[Na+]
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Smiles: Oc1cccc2c1ccc(c2)S(=O)(=O)[O-].[Na+]
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Smiles:
Oc1cccc2c1ccc(c2)S(=O)(=O)[O-].[Na+]
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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