AD15483
90349-18-1 | 4-(Ethylamino)-3-nitrobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD15483
ChemicalName
4-(Ethylamino)-3-nitrobenzonitrile
CasNumber
90349-18-1
MolecularFormula
C9H9N3O2
MolecularWeight
191.1867
MdlNumber
MFCD00186035
Smiles
CCNc1ccc(cc1[N+](=O)[O-])C#N
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AD15483
ChemicalName: 4-(Ethylamino)-3-nitrobenzonitrile
CasNumber: 90349-18-1
MolecularFormula: C9H9N3O2
MolecularWeight: 191.1867
MdlNumber: MFCD00186035
Smiles: CCNc1ccc(cc1[N+](=O)[O-])C#N
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AD15483
ChemicalName:
4-(Ethylamino)-3-nitrobenzonitrile
CasNumber:
90349-18-1
MolecularFormula:
C9H9N3O2
MolecularWeight:
191.1867
MdlNumber:
MFCD00186035
Smiles:
CCNc1ccc(cc1[N+](=O)[O-])C#N
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
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MolecularFormula: __
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Smiles: [O-][N+](=O)c1cc(C(=O)O)c(cc1[N+](=O)[O-])C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
[O-][N+](=O)c1cc(C(=O)O)c(cc1[N+](=O)[O-])C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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Smiles: NCCc1cccnc1.Cl.Cl
Complexity: __
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Smiles:
NCCc1cccnc1.Cl.Cl
Complexity:
__
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Brc1ccc2c(c1)c(nc(n2)C)c1ccccc1Cl
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)c(nc(n2)C)c1ccccc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__