AD27903
214848-28-9 | Methyl 3-(2-ethoxy-2-oxoethoxy)-4-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AD27903
ChemicalName
Methyl 3-(2-ethoxy-2-oxoethoxy)-4-nitrobenzoate
CasNumber
214848-28-9
MolecularFormula
C12H13NO7
MolecularWeight
283.2341
MdlNumber
MFCD09800920
Smiles
CCOC(=O)COc1cc(ccc1[N+](=O)[O-])C(=O)OC
Complexity
365
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
7
RotatableBondCount
7
Xlogp3
1.9
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CatalogNumber: AD27903
ChemicalName: Methyl 3-(2-ethoxy-2-oxoethoxy)-4-nitrobenzoate
CasNumber: 214848-28-9
MolecularFormula: C12H13NO7
MolecularWeight: 283.2341
MdlNumber: MFCD09800920
Smiles: CCOC(=O)COc1cc(ccc1[N+](=O)[O-])C(=O)OC
Complexity: 365
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 7
RotatableBondCount: 7
Xlogp3: 1.9
CatalogNumber:
AD27903
ChemicalName:
Methyl 3-(2-ethoxy-2-oxoethoxy)-4-nitrobenzoate
CasNumber:
214848-28-9
MolecularFormula:
C12H13NO7
MolecularWeight:
283.2341
MdlNumber:
MFCD09800920
Smiles:
CCOC(=O)COc1cc(ccc1[N+](=O)[O-])C(=O)OC
Complexity:
365
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
7
RotatableBondCount:
7
Xlogp3:
1.9
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Smiles: NC(=O)[C@@H]1CC[C@H](CC1)C(=O)O
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Smiles:
NC(=O)[C@@H]1CC[C@H](CC1)C(=O)O
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: CC(C(c1cccc(c1)O)O)N
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Smiles:
CC(C(c1cccc(c1)O)O)N
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Cn1c(=O)n(c2c1cccc2)C1CCNCC1.Cl
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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:
Cn1c(=O)n(c2c1cccc2)C1CCNCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__