AB76816
957034-47-8 | N,N-Dimethylformamide tris(3-cyano-5-nitrophenylboronate)
Manufacturer: A2B Chem
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CatalogNumber
AB76816
ChemicalName
N,N-Dimethylformamide tris(3-cyano-5-nitrophenylboronate)
CasNumber
957034-47-8
MolecularFormula
C24H22B3N7O13
MolecularWeight
648.9036
MdlNumber
MFCD09258663
Smiles
N#Cc1cc(cc(c1)[N+](=O)[O-])B(O)O.N#Cc1cc(cc(c1)[N+](=O)[O-])B(O)O.N#Cc1cc(cc(c1)[N+](=O)[O-])B(O)O.O=CN(C)C
Complexity
303
Covalently-bondedUnitCount
4
HeavyAtomCount
47
HydrogenBondAcceptorCount
16
HydrogenBondDonorCount
6
RotatableBondCount
3
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CatalogNumber: AB76816
ChemicalName: N,N-Dimethylformamide tris(3-cyano-5-nitrophenylboronate)
CasNumber: 957034-47-8
MolecularFormula: C24H22B3N7O13
MolecularWeight: 648.9036
MdlNumber: MFCD09258663
Smiles: N#Cc1cc(cc(c1)[N+](=O)[O-])B(O)O.N#Cc1cc(cc(c1)[N+](=O)[O-])B(O)O.N#Cc1cc(cc(c1)[N+](=O)[O-])B(O)O.O=CN(C)C
Complexity: 303
Covalently-bondedUnitCount: 4
HeavyAtomCount: 47
HydrogenBondAcceptorCount: 16
HydrogenBondDonorCount: 6
RotatableBondCount: 3
CatalogNumber:
AB76816
ChemicalName:
N,N-Dimethylformamide tris(3-cyano-5-nitrophenylboronate)
CasNumber:
957034-47-8
MolecularFormula:
C24H22B3N7O13
MolecularWeight:
648.9036
MdlNumber:
MFCD09258663
Smiles:
N#Cc1cc(cc(c1)[N+](=O)[O-])B(O)O.N#Cc1cc(cc(c1)[N+](=O)[O-])B(O)O.N#Cc1cc(cc(c1)[N+](=O)[O-])B(O)O.O=CN(C)C
Complexity:
303
Covalently-bondedUnitCount:
4
HeavyAtomCount:
47
HydrogenBondAcceptorCount:
16
HydrogenBondDonorCount:
6
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(CC(=O)O)C
Complexity: 70.1
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CN(CC(=O)O)C
Complexity:
70.1
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Smiles: CCOC(=O)CN(C)C
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCOC(=O)CN(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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CatalogNumber: __
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Smiles: COC(=O)CN(C)C
Complexity: 80.5
Covalently-bondedUnitCount: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CN(C)C
Complexity:
80.5
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__