AD27198
21575-91-7 | 3-(3-Bromo-phenyl)-3-oxo-propionic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AD27198
ChemicalName
3-(3-Bromo-phenyl)-3-oxo-propionic acid ethyl ester
CasNumber
21575-91-7
MolecularFormula
C11H11BrO3
MolecularWeight
271.10724
MdlNumber
MFCD03424812
Smiles
CCOC(=O)CC(=O)c1cccc(c1)Br
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
5
Xlogp3
2.6
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CatalogNumber: AD27198
ChemicalName: 3-(3-Bromo-phenyl)-3-oxo-propionic acid ethyl ester
CasNumber: 21575-91-7
MolecularFormula: C11H11BrO3
MolecularWeight: 271.10724
MdlNumber: MFCD03424812
Smiles: CCOC(=O)CC(=O)c1cccc(c1)Br
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 2.6
CatalogNumber:
AD27198
ChemicalName:
3-(3-Bromo-phenyl)-3-oxo-propionic acid ethyl ester
CasNumber:
21575-91-7
MolecularFormula:
C11H11BrO3
MolecularWeight:
271.10724
MdlNumber:
MFCD03424812
Smiles:
CCOC(=O)CC(=O)c1cccc(c1)Br
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
2.6
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Smiles: COc1c(C)ccc(c1C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
COc1c(C)ccc(c1C)C
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CC(=O)Nc1ccc(c(c1)[N+](=O)[O-])C(=O)O
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Smiles:
CC(=O)Nc1ccc(c(c1)[N+](=O)[O-])C(=O)O
Complexity:
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__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: ClCc1cccc(c1)SC(F)(F)F
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MolecularFormula:
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Smiles:
ClCc1cccc(c1)SC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__