AA52088
1331560-65-6 | (3E)-4-(3-Bromo-4-methoxyphenyl)but-3-en-2-one
Manufacturer: A2B Chem
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CatalogNumber
AA52088
ChemicalName
(3E)-4-(3-Bromo-4-methoxyphenyl)but-3-en-2-one
CasNumber
1331560-65-6
MolecularFormula
C11H11BrO2
MolecularWeight
255.1078
MdlNumber
MFCD20286548
Smiles
COc1ccc(cc1Br)C=CC(=O)C
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
RotatableBondCount
3
UndefinedBondStereocenterCount
1
Xlogp3
2.7
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CatalogNumber: AA52088
ChemicalName: (3E)-4-(3-Bromo-4-methoxyphenyl)but-3-en-2-one
CasNumber: 1331560-65-6
MolecularFormula: C11H11BrO2
MolecularWeight: 255.1078
MdlNumber: MFCD20286548
Smiles: COc1ccc(cc1Br)C=CC(=O)C
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
UndefinedBondStereocenterCount: 1
Xlogp3: 2.7
CatalogNumber:
AA52088
ChemicalName:
(3E)-4-(3-Bromo-4-methoxyphenyl)but-3-en-2-one
CasNumber:
1331560-65-6
MolecularFormula:
C11H11BrO2
MolecularWeight:
255.1078
MdlNumber:
MFCD20286548
Smiles:
COc1ccc(cc1Br)C=CC(=O)C
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
UndefinedBondStereocenterCount:
1
Xlogp3:
2.7
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Smiles: COc1cc(c(cc1NC(=O)CC(=O)C)C)S(=O)(=O)[O-].[Na+]
Complexity: __
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HeavyAtomCount: __
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Smiles:
COc1cc(c(cc1NC(=O)CC(=O)C)C)S(=O)(=O)[O-].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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UndefinedBondStereocenterCount:
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Smiles: O=c1ccc2c(o1)cc1c(c2OC[C@@H](C(O)(C)C)O)cco1
Complexity: __
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Smiles:
O=c1ccc2c(o1)cc1c(c2OC[C@@H](C(O)(C)C)O)cco1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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Xlogp3:
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Smiles: O=C(CC[C@H]1[C@@H](O)C[C@@H]([C@@H]1CC=CCC(=O)O)O)CCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
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ChemicalName:
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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:
O=C(CC[C@H]1[C@@H](O)C[C@@H]([C@@H]1CC=CCC(=O)O)O)CCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__