AD55576
268734-34-5 | Methyl 4-cyano-3-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AD55576
ChemicalName
Methyl 4-cyano-3-fluorobenzoate
CasNumber
268734-34-5
MolecularFormula
C9H6FNO2
MolecularWeight
179.1478
MdlNumber
MFCD09264509
Smiles
COC(=O)c1ccc(c(c1)F)C#N
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AD55576
ChemicalName: Methyl 4-cyano-3-fluorobenzoate
CasNumber: 268734-34-5
MolecularFormula: C9H6FNO2
MolecularWeight: 179.1478
MdlNumber: MFCD09264509
Smiles: COC(=O)c1ccc(c(c1)F)C#N
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AD55576
ChemicalName:
Methyl 4-cyano-3-fluorobenzoate
CasNumber:
268734-34-5
MolecularFormula:
C9H6FNO2
MolecularWeight:
179.1478
MdlNumber:
MFCD09264509
Smiles:
COC(=O)c1ccc(c(c1)F)C#N
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.6
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Smiles: O=C(N[C@@H](C(=O)O)Cc1c2ccccc2cc2c1cccc2)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
O=C(N[C@@H](C(=O)O)Cc1c2ccccc2cc2c1cccc2)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CC(N1CCNCC1C)C
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Smiles:
CC(N1CCNCC1C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: NCCn1nnc2c1cccc2
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NCCn1nnc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__