AE93574
17076-68-5 | 4-(4-Nitrophenoxy)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE93574
ChemicalName
4-(4-Nitrophenoxy)benzonitrile
CasNumber
17076-68-5
MolecularFormula
C13H8N2O3
MolecularWeight
240.2142
MdlNumber
MFCD00443712
Smiles
N#Cc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
Complexity
328
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AE93574
ChemicalName: 4-(4-Nitrophenoxy)benzonitrile
CasNumber: 17076-68-5
MolecularFormula: C13H8N2O3
MolecularWeight: 240.2142
MdlNumber: MFCD00443712
Smiles: N#Cc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
Complexity: 328
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AE93574
ChemicalName:
4-(4-Nitrophenoxy)benzonitrile
CasNumber:
17076-68-5
MolecularFormula:
C13H8N2O3
MolecularWeight:
240.2142
MdlNumber:
MFCD00443712
Smiles:
N#Cc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
Complexity:
328
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.7
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Smiles: Cc1ccccc1n1ncc(c1N)C(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Cc1ccccc1n1ncc(c1N)C(=O)O
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCOC(=O)c1oc2c(c1N)c(cc(n2)c1ccc(cc1)C)C(F)(F)F
Complexity: __
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Smiles:
CCOC(=O)c1oc2c(c1N)c(cc(n2)c1ccc(cc1)C)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: OCc1noc(c1)c1cccs1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OCc1noc(c1)c1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__