AE02965
80277-41-4 | (2-Fluoro-phenyl)-oxo-acetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE02965
ChemicalName
(2-Fluoro-phenyl)-oxo-acetonitrile
CasNumber
80277-41-4
MolecularFormula
C8H4FNO
MolecularWeight
149.1218632
MdlNumber
MFCD06658449
Smiles
N#CC(=O)c1ccccc1F
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
1.8
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CatalogNumber: AE02965
ChemicalName: (2-Fluoro-phenyl)-oxo-acetonitrile
CasNumber: 80277-41-4
MolecularFormula: C8H4FNO
MolecularWeight: 149.1218632
MdlNumber: MFCD06658449
Smiles: N#CC(=O)c1ccccc1F
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AE02965
ChemicalName:
(2-Fluoro-phenyl)-oxo-acetonitrile
CasNumber:
80277-41-4
MolecularFormula:
C8H4FNO
MolecularWeight:
149.1218632
MdlNumber:
MFCD06658449
Smiles:
N#CC(=O)c1ccccc1F
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.8
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Smiles: CC(c1cccnc1C)C
Complexity: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
CC(c1cccnc1C)C
Complexity:
__
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C1N2CN3C(=O)N4C5C3N3CN6C2C2N1CN1C(=O)N7C8C1N(CN2C6=O)C(=O)N8CN1C2N(C7)C(=O)N6C2N(C1=O)CN1C2N(C6)C(=O)N6CN7C(=O)N(C4)C4N(CN5C3=O)C(=O)N(C74)CN(C26)C1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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Smiles:
O=C1N2CN3C(=O)N4C5C3N3CN6C2C2N1CN1C(=O)N7C8C1N(CN2C6=O)C(=O)N8CN1C2N(C7)C(=O)N6C2N(C1=O)CN1C2N(C6)C(=O)N6CN7C(=O)N(C4)C4N(CN5C3=O)C(=O)N(C74)CN(C26)C1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__