AI54895
681456-87-1 | Methyl 1-benzyl-2-methylazetidine-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI54895
ChemicalName
Methyl 1-benzyl-2-methylazetidine-2-carboxylate
CasNumber
681456-87-1
MolecularFormula
C13H17NO2
MolecularWeight
219.2796
MdlNumber
MFCD28501896
Smiles
COC(=O)C1(C)CCN1Cc1ccccc1
Complexity
261
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2
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CatalogNumber: AI54895
ChemicalName: Methyl 1-benzyl-2-methylazetidine-2-carboxylate
CasNumber: 681456-87-1
MolecularFormula: C13H17NO2
MolecularWeight: 219.2796
MdlNumber: MFCD28501896
Smiles: COC(=O)C1(C)CCN1Cc1ccccc1
Complexity: 261
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2
CatalogNumber:
AI54895
ChemicalName:
Methyl 1-benzyl-2-methylazetidine-2-carboxylate
CasNumber:
681456-87-1
MolecularFormula:
C13H17NO2
MolecularWeight:
219.2796
MdlNumber:
MFCD28501896
Smiles:
COC(=O)C1(C)CCN1Cc1ccccc1
Complexity:
261
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2
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Smiles: CCOC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F
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Smiles:
CCOC(=O)C1CCN(CC1)c1ccc(cc1)C(F)(F)F
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Smiles: FC(Oc1ccc(cc1)OC1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])(F)F
Complexity: __
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Smiles:
FC(Oc1ccc(cc1)OC1CCN(CC1)c1ccc(cc1)OC[C@@]1(C)Oc2n(C1)cc(n2)[N+](=O)[O-])(F)F
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1ccc(cc1)C(=O)N(Cc1ccccc1)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1ccc(cc1)C(=O)N(Cc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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