AB65654
1072944-62-7 | 4-(2-Bromo-4-nitrophenoxy)tetrahydro-2H-pyran
Manufacturer: A2B Chem
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CatalogNumber
AB65654
ChemicalName
4-(2-Bromo-4-nitrophenoxy)tetrahydro-2H-pyran
CasNumber
1072944-62-7
MolecularFormula
C11H12BrNO4
MolecularWeight
302.1213
MdlNumber
MFCD11504903
Smiles
Brc1cc(ccc1OC1CCOCC1)[N+](=O)[O-]
Complexity
265
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AB65654
ChemicalName: 4-(2-Bromo-4-nitrophenoxy)tetrahydro-2H-pyran
CasNumber: 1072944-62-7
MolecularFormula: C11H12BrNO4
MolecularWeight: 302.1213
MdlNumber: MFCD11504903
Smiles: Brc1cc(ccc1OC1CCOCC1)[N+](=O)[O-]
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AB65654
ChemicalName:
4-(2-Bromo-4-nitrophenoxy)tetrahydro-2H-pyran
CasNumber:
1072944-62-7
MolecularFormula:
C11H12BrNO4
MolecularWeight:
302.1213
MdlNumber:
MFCD11504903
Smiles:
Brc1cc(ccc1OC1CCOCC1)[N+](=O)[O-]
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: AB65655
ChemicalName: 4-(2-Bromo-5-(trifluoromethoxy)phenyl)-2-methylbut-3-yn-2-ol
CasNumber: 1187385-74-5
MolecularFormula: C12H10BrF3O2
MolecularWeight: 323.1058
MdlNumber: MFCD12913967
Smiles: Brc1ccc(cc1C#CC(O)(C)C)OC(F)(F)F
Complexity: 353
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 3.9
CatalogNumber:
AB65655
ChemicalName:
4-(2-Bromo-5-(trifluoromethoxy)phenyl)-2-methylbut-3-yn-2-ol
CasNumber:
1187385-74-5
MolecularFormula:
C12H10BrF3O2
MolecularWeight:
323.1058
MdlNumber:
MFCD12913967
Smiles:
Brc1ccc(cc1C#CC(O)(C)C)OC(F)(F)F
Complexity:
353
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
3.9
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Smiles: BrCCOc1ccc(cc1OC)C=O
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Smiles:
BrCCOc1ccc(cc1OC)C=O
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Smiles: BrCCc1ccc(cc1)S(=O)(=O)O
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Smiles:
BrCCc1ccc(cc1)S(=O)(=O)O
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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