AF58939
39117-72-1 | 4-(3-nitrophenyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AF58939
ChemicalName
4-(3-nitrophenyl)benzonitrile
CasNumber
39117-72-1
MolecularFormula
C13H8N2O2
MolecularWeight
224.2148
MdlNumber
MFCD06803023
Smiles
N#Cc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Complexity
320
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
3.6
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CatalogNumber: AF58939
ChemicalName: 4-(3-nitrophenyl)benzonitrile
CasNumber: 39117-72-1
MolecularFormula: C13H8N2O2
MolecularWeight: 224.2148
MdlNumber: MFCD06803023
Smiles: N#Cc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 3.6
CatalogNumber:
AF58939
ChemicalName:
4-(3-nitrophenyl)benzonitrile
CasNumber:
39117-72-1
MolecularFormula:
C13H8N2O2
MolecularWeight:
224.2148
MdlNumber:
MFCD06803023
Smiles:
N#Cc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
3.6
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Smiles: Nc1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Nc1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)N
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Smiles:
CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)N
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)c1[nH]c2c(c1c1ccccc1)cccc2
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HeavyAtomCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)c1[nH]c2c(c1c1ccccc1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__