AF78003
27210-70-4 | Diethyl 2-aminoterephthalate
Manufacturer: A2B Chem
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CatalogNumber
AF78003
ChemicalName
Diethyl 2-aminoterephthalate
CasNumber
27210-70-4
MolecularFormula
C12H15NO4
MolecularWeight
237.2518
MdlNumber
MFCD00272347
Smiles
CCOC(=O)c1ccc(c(c1)N)C(=O)OCC
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
3.3
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CatalogNumber: AF78003
ChemicalName: Diethyl 2-aminoterephthalate
CasNumber: 27210-70-4
MolecularFormula: C12H15NO4
MolecularWeight: 237.2518
MdlNumber: MFCD00272347
Smiles: CCOC(=O)c1ccc(c(c1)N)C(=O)OCC
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 3.3
CatalogNumber:
AF78003
ChemicalName:
Diethyl 2-aminoterephthalate
CasNumber:
27210-70-4
MolecularFormula:
C12H15NO4
MolecularWeight:
237.2518
MdlNumber:
MFCD00272347
Smiles:
CCOC(=O)c1ccc(c(c1)N)C(=O)OCC
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
3.3
CatalogNumber: __
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Smiles: CC(C)CC1=CC2=CC=CC=C2C(=C1CC(C)C)S(=O)(=O)[O-].[Na+]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(C)CC1=CC2=CC=CC=C2C(=C1CC(C)C)S(=O)(=O)[O-].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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Smiles: CC(C)CCCCCOCCCNCCCN
Complexity: __
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Smiles:
CC(C)CCCCCOCCCNCCCN
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCCCCCCCCCCCCC(=O)OC1(C(C(C(C(O1)CO)O)O)O)C2(C(C(C(O2)CO)O)O)CO
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCCCCCCCCCCCCC(=O)OC1(C(C(C(C(O1)CO)O)O)O)C2(C(C(C(O2)CO)O)O)CO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__