AA25377
1228957-01-4 | tert-Butyl 4-(4-bromo-2-methoxyphenoxy)piperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA25377
ChemicalName
tert-Butyl 4-(4-bromo-2-methoxyphenoxy)piperidine-1-carboxylate
CasNumber
1228957-01-4
MolecularFormula
C17H24BrNO4
MolecularWeight
386.2808
MdlNumber
MFCD16618960
Smiles
COc1cc(Br)ccc1OC1CCN(CC1)C(=O)OC(C)(C)C
Complexity
391
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
4
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CatalogNumber: AA25377
ChemicalName: tert-Butyl 4-(4-bromo-2-methoxyphenoxy)piperidine-1-carboxylate
CasNumber: 1228957-01-4
MolecularFormula: C17H24BrNO4
MolecularWeight: 386.2808
MdlNumber: MFCD16618960
Smiles: COc1cc(Br)ccc1OC1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 391
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 4
CatalogNumber:
AA25377
ChemicalName:
tert-Butyl 4-(4-bromo-2-methoxyphenoxy)piperidine-1-carboxylate
CasNumber:
1228957-01-4
MolecularFormula:
C17H24BrNO4
MolecularWeight:
386.2808
MdlNumber:
MFCD16618960
Smiles:
COc1cc(Br)ccc1OC1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
391
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
4
CatalogNumber: AA25378
ChemicalName: 5-Chloro-3-isopropoxy-2-methoxypyridine
CasNumber: 1228957-00-3
MolecularFormula: C9H12ClNO2
MolecularWeight: 201.6501
MdlNumber: MFCD16618977
Smiles: COc1ncc(cc1OC(C)C)Cl
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AA25378
ChemicalName:
5-Chloro-3-isopropoxy-2-methoxypyridine
CasNumber:
1228957-00-3
MolecularFormula:
C9H12ClNO2
MolecularWeight:
201.6501
MdlNumber:
MFCD16618977
Smiles:
COc1ncc(cc1OC(C)C)Cl
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.6
CatalogNumber: AA25379
ChemicalName: 3-Bromo-5-isobutoxybenzoic acid
CasNumber: 1228956-99-7
MolecularFormula: C11H13BrO3
MolecularWeight: 273.1231
MdlNumber: MFCD16618943
Smiles: CC(COc1cc(Br)cc(c1)C(=O)O)C
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 3.4
CatalogNumber:
AA25379
ChemicalName:
3-Bromo-5-isobutoxybenzoic acid
CasNumber:
1228956-99-7
MolecularFormula:
C11H13BrO3
MolecularWeight:
273.1231
MdlNumber:
MFCD16618943
Smiles:
CC(COc1cc(Br)cc(c1)C(=O)O)C
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
3.4
CatalogNumber: AA25380
ChemicalName: 3-(Benzyloxy)-6-bromo-2-fluorophenol
CasNumber: 1228956-98-6
MolecularFormula: C13H10BrFO2
MolecularWeight: 297.1197
MdlNumber: MFCD16618956
Smiles: Brc1ccc(c(c1O)F)OCc1ccccc1
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.8
CatalogNumber:
AA25380
ChemicalName:
3-(Benzyloxy)-6-bromo-2-fluorophenol
CasNumber:
1228956-98-6
MolecularFormula:
C13H10BrFO2
MolecularWeight:
297.1197
MdlNumber:
MFCD16618956
Smiles:
Brc1ccc(c(c1O)F)OCc1ccccc1
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.8