AD41256
1111640-52-8 | Ethyl morpholine-2-carboxylate trifluoroacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AD41256
ChemicalName
Ethyl morpholine-2-carboxylate trifluoroacetic acid
CasNumber
1111640-52-8
MolecularFormula
C9H14F3NO5
MolecularWeight
273.2064
MdlNumber
MFCD11973835
Smiles
OC(=O)C(F)(F)F.CCOC(=O)C1CNCCO1
Complexity
221
Covalently-bondedUnitCount
2
HeavyAtomCount
18
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
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CatalogNumber: AD41256
ChemicalName: Ethyl morpholine-2-carboxylate trifluoroacetic acid
CasNumber: 1111640-52-8
MolecularFormula: C9H14F3NO5
MolecularWeight: 273.2064
MdlNumber: MFCD11973835
Smiles: OC(=O)C(F)(F)F.CCOC(=O)C1CNCCO1
Complexity: 221
Covalently-bondedUnitCount: 2
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AD41256
ChemicalName:
Ethyl morpholine-2-carboxylate trifluoroacetic acid
CasNumber:
1111640-52-8
MolecularFormula:
C9H14F3NO5
MolecularWeight:
273.2064
MdlNumber:
MFCD11973835
Smiles:
OC(=O)C(F)(F)F.CCOC(=O)C1CNCCO1
Complexity:
221
Covalently-bondedUnitCount:
2
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
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Smiles: Clc1cnc2c(n1)[nH]cc2
Complexity: __
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Smiles:
Clc1cnc2c(n1)[nH]cc2
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Smiles: CCCCCC[C@@H](OC(=O)c1ccc(cc1)O)C
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Smiles:
CCCCCC[C@@H](OC(=O)c1ccc(cc1)O)C
Complexity:
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Smiles: O=C(Nc1cc(cc(c1)C(=O)Nc1ccc(cc1)[S+](=O)([O-])[O-])C(=O)Nc1ccc(cc1)[S+](=O)([O-])[O-])Nc1cc(cc(c1)C(=O)Nc1ccc(cc1)[S+](=O)([O-])[O-])C(=O)Nc1ccc(cc1)[S+](=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(Nc1cc(cc(c1)C(=O)Nc1ccc(cc1)[S+](=O)([O-])[O-])C(=O)Nc1ccc(cc1)[S+](=O)([O-])[O-])Nc1cc(cc(c1)C(=O)Nc1ccc(cc1)[S+](=O)([O-])[O-])C(=O)Nc1ccc(cc1)[S+](=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__