AB09025
19967-55-6 | 1-Bromo-3-methyl-2-butanone
Manufacturer: A2B Chem
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CatalogNumber
AB09025
ChemicalName
1-Bromo-3-methyl-2-butanone
CasNumber
19967-55-6
MolecularFormula
C5H9BrO
MolecularWeight
165.0284
MdlNumber
MFCD00015716
Smiles
BrCC(=O)C(C)C
Complexity
68.5
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AB09025
ChemicalName: 1-Bromo-3-methyl-2-butanone
CasNumber: 19967-55-6
MolecularFormula: C5H9BrO
MolecularWeight: 165.0284
MdlNumber: MFCD00015716
Smiles: BrCC(=O)C(C)C
Complexity: 68.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB09025
ChemicalName:
1-Bromo-3-methyl-2-butanone
CasNumber:
19967-55-6
MolecularFormula:
C5H9BrO
MolecularWeight:
165.0284
MdlNumber:
MFCD00015716
Smiles:
BrCC(=O)C(C)C
Complexity:
68.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [Cl-][Ru+2]123([Cl-][Ru+2]4([Cl-]1)([Cl-]2)([Cl-])P(c1ccccc1)(c1ccccc1)c1ccc2c(c1-c1c(P4(c4ccccc4)c4ccccc4)ccc4c1cccc4)cccc2)P(c1ccccc1)(c1ccccc1)c1ccc2c(c1-c1c(P3(c3ccccc3)c3ccccc3)ccc3c1cccc3)cccc2.CNC.[H+]
Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
[Cl-][Ru+2]123([Cl-][Ru+2]4([Cl-]1)([Cl-]2)([Cl-])P(c1ccccc1)(c1ccccc1)c1ccc2c(c1-c1c(P4(c4ccccc4)c4ccccc4)ccc4c1cccc4)cccc2)P(c1ccccc1)(c1ccccc1)c1ccc2c(c1-c1c(P3(c3ccccc3)c3ccccc3)ccc3c1cccc3)cccc2.CNC.[H+]
Complexity:
__
Covalently-bondedUnitCount:
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: COc1ccc(cc1)c1n[nH]cc1C=O
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Smiles:
COc1ccc(cc1)c1n[nH]cc1C=O
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Xlogp3:
__
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Smiles: CCC(C(=O)O)Nc1ccc(cc1)Cl
Complexity: __
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Smiles:
CCC(C(=O)O)Nc1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__