AI61650
92042-08-5 | Ethyl 4-tert-butyl-3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI61650
ChemicalName
Ethyl 4-tert-butyl-3-nitrobenzoate
CasNumber
92042-08-5
MolecularFormula
C13H17NO4
MolecularWeight
251.2784
MdlNumber
MFCD22689092
Smiles
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])C(C)(C)C
Complexity
316
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
3.6
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CatalogNumber: AI61650
ChemicalName: Ethyl 4-tert-butyl-3-nitrobenzoate
CasNumber: 92042-08-5
MolecularFormula: C13H17NO4
MolecularWeight: 251.2784
MdlNumber: MFCD22689092
Smiles: CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])C(C)(C)C
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 3.6
CatalogNumber:
AI61650
ChemicalName:
Ethyl 4-tert-butyl-3-nitrobenzoate
CasNumber:
92042-08-5
MolecularFormula:
C13H17NO4
MolecularWeight:
251.2784
MdlNumber:
MFCD22689092
Smiles:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])C(C)(C)C
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
3.6
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Smiles: CCCCCCNC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCCCNC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity:
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Smiles: Clc1ccc(c(c1)[N+](=O)[O-])OCc1ccccc1
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Smiles:
Clc1ccc(c(c1)[N+](=O)[O-])OCc1ccccc1
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1c(I)cn(c(=O)c1Br)C
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1c(I)cn(c(=O)c1Br)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__