AI44345
198477-82-6 | Methyl 3-acetyl-4-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI44345
ChemicalName
Methyl 3-acetyl-4-fluorobenzoate
CasNumber
198477-82-6
MolecularFormula
C10H9FO3
MolecularWeight
196.1751
MdlNumber
MFCD26679549
Smiles
COC(=O)c1ccc(c(c1)C(=O)C)F
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AI44345
ChemicalName: Methyl 3-acetyl-4-fluorobenzoate
CasNumber: 198477-82-6
MolecularFormula: C10H9FO3
MolecularWeight: 196.1751
MdlNumber: MFCD26679549
Smiles: COC(=O)c1ccc(c(c1)C(=O)C)F
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AI44345
ChemicalName:
Methyl 3-acetyl-4-fluorobenzoate
CasNumber:
198477-82-6
MolecularFormula:
C10H9FO3
MolecularWeight:
196.1751
MdlNumber:
MFCD26679549
Smiles:
COC(=O)c1ccc(c(c1)C(=O)C)F
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: __
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Smiles: ClCC(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
ClCC(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: ClCCC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
ClCCC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OC[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__