AI49140
3734-33-6 | Denatonium benzoate
Manufacturer: A2B Chem
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CatalogNumber
AI49140
ChemicalName
Denatonium benzoate
CasNumber
3734-33-6
MolecularFormula
C28H34N2O3
MolecularWeight
446.5812
MdlNumber
MFCD00031578
Smiles
[O-]C(=O)c1ccccc1.CC[N+](Cc1ccccc1)(CC(=O)Nc1c(C)cccc1C)CC
Complexity
473
Covalently-bondedUnitCount
2
HeavyAtomCount
33
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
7
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CatalogNumber: AI49140
ChemicalName: Denatonium benzoate
CasNumber: 3734-33-6
MolecularFormula: C28H34N2O3
MolecularWeight: 446.5812
MdlNumber: MFCD00031578
Smiles: [O-]C(=O)c1ccccc1.CC[N+](Cc1ccccc1)(CC(=O)Nc1c(C)cccc1C)CC
Complexity: 473
Covalently-bondedUnitCount: 2
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 7
CatalogNumber:
AI49140
ChemicalName:
Denatonium benzoate
CasNumber:
3734-33-6
MolecularFormula:
C28H34N2O3
MolecularWeight:
446.5812
MdlNumber:
MFCD00031578
Smiles:
[O-]C(=O)c1ccccc1.CC[N+](Cc1ccccc1)(CC(=O)Nc1c(C)cccc1C)CC
Complexity:
473
Covalently-bondedUnitCount:
2
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
7
CatalogNumber: __
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MolecularFormula: __
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Smiles: O=C(N(c1ccc(cc1)OC(=O)c1ccco1)C)C(Cl)Cl
Complexity: __
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Smiles:
O=C(N(c1ccc(cc1)OC(=O)c1ccco1)C)C(Cl)Cl
Complexity:
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HeavyAtomCount:
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Smiles: [Cl-][Ru+2]123456([Cl-][Ru+2]789%10%11([Cl-]1)([Cl-])c1c%10c8c9c7c%111)c1c5c3c4c2c61
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
CatalogNumber:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
[Cl-][Ru+2]123456([Cl-][Ru+2]789%10%11([Cl-]1)([Cl-])c1c%10c8c9c7c%111)c1c5c3c4c2c61
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: N#Cc1ccc(cc1)NC(=N)N.Cl
Complexity: 213
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
N#Cc1ccc(cc1)NC(=N)N.Cl
Complexity:
213
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__