AB71011
54247-27-7 | Benzyl 6-bromohexyl ether
Manufacturer: A2B Chem
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CatalogNumber
AB71011
ChemicalName
Benzyl 6-bromohexyl ether
CasNumber
54247-27-7
MolecularFormula
C13H19BrO
MolecularWeight
271.1934
MdlNumber
MFCD02258455
Smiles
BrCCCCCCOCc1ccccc1
Complexity
133
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
1
RotatableBondCount
8
Xlogp3
3.8
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CatalogNumber: AB71011
ChemicalName: Benzyl 6-bromohexyl ether
CasNumber: 54247-27-7
MolecularFormula: C13H19BrO
MolecularWeight: 271.1934
MdlNumber: MFCD02258455
Smiles: BrCCCCCCOCc1ccccc1
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
RotatableBondCount: 8
Xlogp3: 3.8
CatalogNumber:
AB71011
ChemicalName:
Benzyl 6-bromohexyl ether
CasNumber:
54247-27-7
MolecularFormula:
C13H19BrO
MolecularWeight:
271.1934
MdlNumber:
MFCD02258455
Smiles:
BrCCCCCCOCc1ccccc1
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
RotatableBondCount:
8
Xlogp3:
3.8
CatalogNumber: AB71012
ChemicalName: Benzyl acetoacetate
CasNumber: 5396-89-4
MolecularFormula: C11H12O3
MolecularWeight: 192.2112
MdlNumber: MFCD00008785
Smiles: O=C(CC(=O)C)OCc1ccccc1
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 1.8
CatalogNumber:
AB71012
ChemicalName:
Benzyl acetoacetate
CasNumber:
5396-89-4
MolecularFormula:
C11H12O3
MolecularWeight:
192.2112
MdlNumber:
MFCD00008785
Smiles:
O=C(CC(=O)C)OCc1ccccc1
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
1.8
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Smiles: N#CC(c1cc(ccc1[N+](=O)[O-])C(F)(F)F)C(=O)OCc1ccccc1
Complexity: __
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Smiles:
N#CC(c1cc(ccc1[N+](=O)[O-])C(F)(F)F)C(=O)OCc1ccccc1
Complexity:
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Smiles: [N-]=[N+]=NCc1ccccc1
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
[N-]=[N+]=NCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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