AD13692
91182-00-2 | 4-Ethylamino-3-nitro-benzoic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AD13692
ChemicalName
4-Ethylamino-3-nitro-benzoic acid ethyl ester
CasNumber
91182-00-2
MolecularFormula
C11H14N2O4
MolecularWeight
238.2399
MdlNumber
MFCD03147222
Smiles
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NCC
Complexity
277
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.9
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CatalogNumber: AD13692
ChemicalName: 4-Ethylamino-3-nitro-benzoic acid ethyl ester
CasNumber: 91182-00-2
MolecularFormula: C11H14N2O4
MolecularWeight: 238.2399
MdlNumber: MFCD03147222
Smiles: CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NCC
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.9
CatalogNumber:
AD13692
ChemicalName:
4-Ethylamino-3-nitro-benzoic acid ethyl ester
CasNumber:
91182-00-2
MolecularFormula:
C11H14N2O4
MolecularWeight:
238.2399
MdlNumber:
MFCD03147222
Smiles:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NCC
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.9
CatalogNumber: AD13694
ChemicalName: 2-Butoxy-3-nitrotoluene
CasNumber: 911804-98-3
MolecularFormula: C11H15NO3
MolecularWeight: 209.2417
MdlNumber: MFCD22205729
Smiles: CCCCOc1c(C)cccc1[N+](=O)[O-]
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 3.3
CatalogNumber:
AD13694
ChemicalName:
2-Butoxy-3-nitrotoluene
CasNumber:
911804-98-3
MolecularFormula:
C11H15NO3
MolecularWeight:
209.2417
MdlNumber:
MFCD22205729
Smiles:
CCCCOc1c(C)cccc1[N+](=O)[O-]
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCOCCCO
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCOCCCO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCCCN1C(=O)COc2c1cc(CBr)cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCCCN1C(=O)COc2c1cc(CBr)cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__