AD56668
13350-09-9 | 1-Nitro-2-(prop-2-yn-1-yloxy)benzene
Manufacturer: A2B Chem
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CatalogNumber
AD56668
ChemicalName
1-Nitro-2-(prop-2-yn-1-yloxy)benzene
CasNumber
13350-09-9
MolecularFormula
C9H7NO3
MolecularWeight
177.1568
MdlNumber
MFCD09030813
Smiles
C#CCOc1ccccc1[N+](=O)[O-]
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AD56668
ChemicalName: 1-Nitro-2-(prop-2-yn-1-yloxy)benzene
CasNumber: 13350-09-9
MolecularFormula: C9H7NO3
MolecularWeight: 177.1568
MdlNumber: MFCD09030813
Smiles: C#CCOc1ccccc1[N+](=O)[O-]
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AD56668
ChemicalName:
1-Nitro-2-(prop-2-yn-1-yloxy)benzene
CasNumber:
13350-09-9
MolecularFormula:
C9H7NO3
MolecularWeight:
177.1568
MdlNumber:
MFCD09030813
Smiles:
C#CCOc1ccccc1[N+](=O)[O-]
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.5
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Smiles: CN(C(=O)CNC(=O)OC(C)(C)C)CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CN(C(=O)CNC(=O)OC(C)(C)C)CC(=O)O
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCCCCOC(=O)c1ccco1
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Smiles:
CCCCCOC(=O)c1ccco1
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: CCOC(=O)CC1(CCCCC1)C#N
Complexity: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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)CC1(CCCCC1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__