AA56588
1380089-33-7 | (4-Bromo-3-methylisoxazol-5-yl)methyl acetate
Manufacturer: A2B Chem
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CatalogNumber
AA56588
ChemicalName
(4-Bromo-3-methylisoxazol-5-yl)methyl acetate
CasNumber
1380089-33-7
MolecularFormula
C7H8BrNO3
MolecularWeight
234.0473
MdlNumber
MFCD24387374
Smiles
CC(=O)OCc1onc(c1Br)C
Complexity
176
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AA56588
ChemicalName: (4-Bromo-3-methylisoxazol-5-yl)methyl acetate
CasNumber: 1380089-33-7
MolecularFormula: C7H8BrNO3
MolecularWeight: 234.0473
MdlNumber: MFCD24387374
Smiles: CC(=O)OCc1onc(c1Br)C
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AA56588
ChemicalName:
(4-Bromo-3-methylisoxazol-5-yl)methyl acetate
CasNumber:
1380089-33-7
MolecularFormula:
C7H8BrNO3
MolecularWeight:
234.0473
MdlNumber:
MFCD24387374
Smiles:
CC(=O)OCc1onc(c1Br)C
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: AA56589
ChemicalName: Cpi-0610
CasNumber: 1380087-89-7
MolecularFormula: C20H16ClN3O2
MolecularWeight: 365.8129
MdlNumber: MFCD28144505
Smiles: NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)cccc2
Complexity: 561
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AA56589
ChemicalName:
Cpi-0610
CasNumber:
1380087-89-7
MolecularFormula:
C20H16ClN3O2
MolecularWeight:
365.8129
MdlNumber:
MFCD28144505
Smiles:
NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)cccc2
Complexity:
561
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3
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Smiles: O=C(Oc1ccc(cc1)[N+](=O)[O-])OC[C@@H]1[C@@H]2[C@H]1CCC#CCC2
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Smiles:
O=C(Oc1ccc(cc1)[N+](=O)[O-])OC[C@@H]1[C@@H]2[C@H]1CCC#CCC2
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__
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Smiles: CC(Oc1ccccc1B(O)O)C
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Smiles:
CC(Oc1ccccc1B(O)O)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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