AA53747
1217190-38-9 | Benzyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA53747
ChemicalName
Benzyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
CasNumber
1217190-38-9
MolecularFormula
C14H17NO3
MolecularWeight
247.2897
MdlNumber
MFCD24038878
Smiles
OC1CC2CC1CN2C(=O)OCc1ccccc1
Complexity
314
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
3
Xlogp3
1.6
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CatalogNumber: AA53747
ChemicalName: Benzyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
CasNumber: 1217190-38-9
MolecularFormula: C14H17NO3
MolecularWeight: 247.2897
MdlNumber: MFCD24038878
Smiles: OC1CC2CC1CN2C(=O)OCc1ccccc1
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 3
Xlogp3: 1.6
CatalogNumber:
AA53747
ChemicalName:
Benzyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
CasNumber:
1217190-38-9
MolecularFormula:
C14H17NO3
MolecularWeight:
247.2897
MdlNumber:
MFCD24038878
Smiles:
OC1CC2CC1CN2C(=O)OCc1ccccc1
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
3
Xlogp3:
1.6
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Smiles: Fc1cc2cc[nH]c2cc1N
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Smiles:
Fc1cc2cc[nH]c2cc1N
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Smiles: CC(=O)OCOC(=O)CN(c1ccc(cc1OCCOc1cc(C)ccc1N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)c1c2-c(cc(=O)c(c2)Cl)oc2c1cc(Cl)c(c2)OCOC(=O)C)CC(=O)OCOC(=O)C
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Smiles:
CC(=O)OCOC(=O)CN(c1ccc(cc1OCCOc1cc(C)ccc1N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)c1c2-c(cc(=O)c(c2)Cl)oc2c1cc(Cl)c(c2)OCOC(=O)C)CC(=O)OCOC(=O)C
Complexity:
__
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Smiles: O=c1c2ccc(cc2oc2c1ccc(c2)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
O=c1c2ccc(cc2oc2c1ccc(c2)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__