AI30014
131895-07-3 | 1-(4-Bromophenyl)-3-methylbutan-1-one
Manufacturer: A2B Chem
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CatalogNumber
AI30014
ChemicalName
1-(4-Bromophenyl)-3-methylbutan-1-one
CasNumber
131895-07-3
MolecularFormula
C11H13BrO
MolecularWeight
241.1243
MdlNumber
MFCD11210643
Smiles
CC(CC(=O)c1ccc(cc1)Br)C
Complexity
169
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
1
RotatableBondCount
3
Xlogp3
3.7
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CatalogNumber: AI30014
ChemicalName: 1-(4-Bromophenyl)-3-methylbutan-1-one
CasNumber: 131895-07-3
MolecularFormula: C11H13BrO
MolecularWeight: 241.1243
MdlNumber: MFCD11210643
Smiles: CC(CC(=O)c1ccc(cc1)Br)C
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AI30014
ChemicalName:
1-(4-Bromophenyl)-3-methylbutan-1-one
CasNumber:
131895-07-3
MolecularFormula:
C11H13BrO
MolecularWeight:
241.1243
MdlNumber:
MFCD11210643
Smiles:
CC(CC(=O)c1ccc(cc1)Br)C
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
3.7
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Smiles: O=Cc1cc(ccc1N)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
O=Cc1cc(ccc1N)B1OC(C(O1)(C)C)(C)C
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C(N1CCC2(C1)CCCC2O)OC(C)(C)C
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Smiles:
O=C(N1CCC2(C1)CCCC2O)OC(C)(C)C
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: NC[C@H]1CNC(=O)O1
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NC[C@H]1CNC(=O)O1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__