AH94500
939759-25-8 | 3-Bromo-1-azetidinecarboxylic acid benzyl ester
Manufacturer: A2B Chem
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CatalogNumber
AH94500
ChemicalName
3-Bromo-1-azetidinecarboxylic acid benzyl ester
CasNumber
939759-25-8
MolecularFormula
C11H12BrNO2
MolecularWeight
270.12248000000005
MdlNumber
MFCD09026509
Smiles
BrC1CN(C1)C(=O)OCc1ccccc1
Complexity
223
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AH94500
ChemicalName: 3-Bromo-1-azetidinecarboxylic acid benzyl ester
CasNumber: 939759-25-8
MolecularFormula: C11H12BrNO2
MolecularWeight: 270.12248000000005
MdlNumber: MFCD09026509
Smiles: BrC1CN(C1)C(=O)OCc1ccccc1
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AH94500
ChemicalName:
3-Bromo-1-azetidinecarboxylic acid benzyl ester
CasNumber:
939759-25-8
MolecularFormula:
C11H12BrNO2
MolecularWeight:
270.12248000000005
MdlNumber:
MFCD09026509
Smiles:
BrC1CN(C1)C(=O)OCc1ccccc1
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.2
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Smiles: O[C@@H]1C[C@@H]2[C@@]3([C@H]([C@@]1(O)OC3)C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2C[C@@](C)(CC1)C(=O)O)C)C
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Smiles:
O[C@@H]1C[C@@H]2[C@@]3([C@H]([C@@]1(O)OC3)C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2C[C@@](C)(CC1)C(=O)O)C)C
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Smiles: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C)C(=O)OCC6=CC=CC=C6
Complexity: __
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Smiles:
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C)C(=O)OCC6=CC=CC=C6
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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