AA74592
149437-76-3 | 4-(4-Fluorobenzoyl)butyric acid
Manufacturer: A2B Chem
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CatalogNumber
AA74592
ChemicalName
4-(4-Fluorobenzoyl)butyric acid
CasNumber
149437-76-3
MolecularFormula
C11H11FO3
MolecularWeight
210.20164320000006
MdlNumber
MFCD00667222
Smiles
O=C(c1ccc(cc1)F)CCCC(=O)O
Complexity
232
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.8
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CatalogNumber: AA74592
ChemicalName: 4-(4-Fluorobenzoyl)butyric acid
CasNumber: 149437-76-3
MolecularFormula: C11H11FO3
MolecularWeight: 210.20164320000006
MdlNumber: MFCD00667222
Smiles: O=C(c1ccc(cc1)F)CCCC(=O)O
Complexity: 232
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.8
CatalogNumber:
AA74592
ChemicalName:
4-(4-Fluorobenzoyl)butyric acid
CasNumber:
149437-76-3
MolecularFormula:
C11H11FO3
MolecularWeight:
210.20164320000006
MdlNumber:
MFCD00667222
Smiles:
O=C(c1ccc(cc1)F)CCCC(=O)O
Complexity:
232
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(=O)c1cc(Oc2ccccc2)c(cc1OC)NS(=O)(=O)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NCC(=O)c1cc(Oc2ccccc2)c(cc1OC)NS(=O)(=O)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1ccc2c(c1=S)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Cn1ccc2c(c1=S)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(c1ccc(cc1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccc(cc1)N(C)C)C=C3)c1ccc(cc1)N(C)C)[nH]2)c1ccc(cc1)N(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(c1ccc(cc1)C1=C2C=CC(=N2)C(=c2ccc(=C(C3=NC(=C(c4[nH]c1cc4)c1ccc(cc1)N(C)C)C=C3)c1ccc(cc1)N(C)C)[nH]2)c1ccc(cc1)N(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__