AG72093
57332-84-0 | Ethyl 3-bromo-2-oxobutanoate
Manufacturer: A2B Chem
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CatalogNumber
AG72093
ChemicalName
Ethyl 3-bromo-2-oxobutanoate
CasNumber
57332-84-0
MolecularFormula
C6H9BrO3
MolecularWeight
209.0379
MdlNumber
MFCD19440735
Smiles
CCOC(=O)C(=O)C(Br)C
Complexity
144
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AG72093
ChemicalName: Ethyl 3-bromo-2-oxobutanoate
CasNumber: 57332-84-0
MolecularFormula: C6H9BrO3
MolecularWeight: 209.0379
MdlNumber: MFCD19440735
Smiles: CCOC(=O)C(=O)C(Br)C
Complexity: 144
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AG72093
ChemicalName:
Ethyl 3-bromo-2-oxobutanoate
CasNumber:
57332-84-0
MolecularFormula:
C6H9BrO3
MolecularWeight:
209.0379
MdlNumber:
MFCD19440735
Smiles:
CCOC(=O)C(=O)C(Br)C
Complexity:
144
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: O=Cc1ccccc1SC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
O=Cc1ccccc1SC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CN1CCC(CC1)C(=O)C2=CC=CC=C2F.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
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Smiles:
CN1CCC(CC1)C(=O)C2=CC=CC=C2F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: O[C@H](C[C@@H](/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O)CC(=O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H](C[C@@H](/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O)CC(=O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__