AD47406
154477-54-0 | Methyl 2-(4-(4-chlorobutanoyl)phenyl)-2-methylpropanoate
Manufacturer: A2B Chem
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CatalogNumber
AD47406
ChemicalName
Methyl 2-(4-(4-chlorobutanoyl)phenyl)-2-methylpropanoate
CasNumber
154477-54-0
MolecularFormula
C15H19ClO3
MolecularWeight
282.7626
MdlNumber
MFCD09031254
Smiles
ClCCCC(=O)c1ccc(cc1)C(C(=O)OC)(C)C
Complexity
317
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
RotatableBondCount
7
Xlogp3
3.2
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CatalogNumber: AD47406
ChemicalName: Methyl 2-(4-(4-chlorobutanoyl)phenyl)-2-methylpropanoate
CasNumber: 154477-54-0
MolecularFormula: C15H19ClO3
MolecularWeight: 282.7626
MdlNumber: MFCD09031254
Smiles: ClCCCC(=O)c1ccc(cc1)C(C(=O)OC)(C)C
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 7
Xlogp3: 3.2
CatalogNumber:
AD47406
ChemicalName:
Methyl 2-(4-(4-chlorobutanoyl)phenyl)-2-methylpropanoate
CasNumber:
154477-54-0
MolecularFormula:
C15H19ClO3
MolecularWeight:
282.7626
MdlNumber:
MFCD09031254
Smiles:
ClCCCC(=O)c1ccc(cc1)C(C(=O)OC)(C)C
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
7
Xlogp3:
3.2
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Smiles: COc1ccc(cc1OC1CCCC1)N
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Smiles:
COc1ccc(cc1OC1CCCC1)N
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Smiles: O=c1cc(oc2c1cccc2c1ccccc1)N1CCNCC1
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O=c1cc(oc2c1cccc2c1ccccc1)N1CCNCC1
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Smiles: Cc1ccc(nc1)OS(=O)(=O)C(F)(F)F
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Smiles:
Cc1ccc(nc1)OS(=O)(=O)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__