AA96201
180847-24-9 | 1-Boc-4-(3-bromophenoxymethyl)piperidine
Manufacturer: A2B Chem
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CatalogNumber
AA96201
ChemicalName
1-Boc-4-(3-bromophenoxymethyl)piperidine
CasNumber
180847-24-9
MolecularFormula
C17H24BrNO3
MolecularWeight
370.2814
MdlNumber
MFCD18783168
Smiles
Brc1cccc(c1)OCC1CCN(CC1)C(=O)OC(C)(C)C
Complexity
361
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
3
RotatableBondCount
5
Xlogp3
4.2
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CatalogNumber: AA96201
ChemicalName: 1-Boc-4-(3-bromophenoxymethyl)piperidine
CasNumber: 180847-24-9
MolecularFormula: C17H24BrNO3
MolecularWeight: 370.2814
MdlNumber: MFCD18783168
Smiles: Brc1cccc(c1)OCC1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 361
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 4.2
CatalogNumber:
AA96201
ChemicalName:
1-Boc-4-(3-bromophenoxymethyl)piperidine
CasNumber:
180847-24-9
MolecularFormula:
C17H24BrNO3
MolecularWeight:
370.2814
MdlNumber:
MFCD18783168
Smiles:
Brc1cccc(c1)OCC1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
361
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
4.2
CatalogNumber: AA96202
ChemicalName: Jaceosidin
CasNumber: 18085-97-7
MolecularFormula: C17H14O7
MolecularWeight: 330.2889
MdlNumber: MFCD01081948
Smiles: COc1cc(ccc1O)c1cc(=O)c2c(o1)cc(c(c2O)OC)O
Complexity: 505
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 7
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AA96202
ChemicalName:
Jaceosidin
CasNumber:
18085-97-7
MolecularFormula:
C17H14O7
MolecularWeight:
330.2889
MdlNumber:
MFCD01081948
Smiles:
COc1cc(ccc1O)c1cc(=O)c2c(o1)cc(c(c2O)OC)O
Complexity:
505
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
7
RotatableBondCount:
3
Xlogp3:
1.7
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Smiles: Brc1ccccc1Oc1cccnc1
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Brc1ccccc1Oc1cccnc1
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Smiles: CC(=O)Nc1ccnc(c1)C
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Smiles:
CC(=O)Nc1ccnc(c1)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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