AD72630
1352317-81-7 | Methyl 4-(2-cyanophenyl)-2-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AD72630
ChemicalName
Methyl 4-(2-cyanophenyl)-2-fluorobenzoate
CasNumber
1352317-81-7
MolecularFormula
C15H10FNO2
MolecularWeight
255.2438
MdlNumber
MFCD20529476
Smiles
COC(=O)c1ccc(cc1F)c1ccccc1C#N
Complexity
376
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AD72630
ChemicalName: Methyl 4-(2-cyanophenyl)-2-fluorobenzoate
CasNumber: 1352317-81-7
MolecularFormula: C15H10FNO2
MolecularWeight: 255.2438
MdlNumber: MFCD20529476
Smiles: COC(=O)c1ccc(cc1F)c1ccccc1C#N
Complexity: 376
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AD72630
ChemicalName:
Methyl 4-(2-cyanophenyl)-2-fluorobenzoate
CasNumber:
1352317-81-7
MolecularFormula:
C15H10FNO2
MolecularWeight:
255.2438
MdlNumber:
MFCD20529476
Smiles:
COC(=O)c1ccc(cc1F)c1ccccc1C#N
Complexity:
376
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: AD72631
ChemicalName: 2-Bromo-1-butoxy-4-nitrobenzene
CasNumber: 1352317-77-1
MolecularFormula: C10H12BrNO3
MolecularWeight: 274.1112
MdlNumber: MFCD20529435
Smiles: CCCCOc1ccc(cc1Br)[N+](=O)[O-]
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 3.7
CatalogNumber:
AD72631
ChemicalName:
2-Bromo-1-butoxy-4-nitrobenzene
CasNumber:
1352317-77-1
MolecularFormula:
C10H12BrNO3
MolecularWeight:
274.1112
MdlNumber:
MFCD20529435
Smiles:
CCCCOc1ccc(cc1Br)[N+](=O)[O-]
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
3.7
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Smiles: O=C1CC(C)(C)Cc2c1ccc(n2)Cl
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O=C1CC(C)(C)Cc2c1ccc(n2)Cl
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Smiles: FC(COS(=O)(=O)c1ccc(cc1)C)F
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Smiles:
FC(COS(=O)(=O)c1ccc(cc1)C)F
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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