AE25308
1187570-88-2 | Ethyl 4-(isopropylamino)-3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AE25308
ChemicalName
Ethyl 4-(isopropylamino)-3-nitrobenzoate
CasNumber
1187570-88-2
MolecularFormula
C12H16N2O4
MolecularWeight
252.2664
MdlNumber
MFCD25953935
Smiles
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NC(C)C
Complexity
301
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.3
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CatalogNumber: AE25308
ChemicalName: Ethyl 4-(isopropylamino)-3-nitrobenzoate
CasNumber: 1187570-88-2
MolecularFormula: C12H16N2O4
MolecularWeight: 252.2664
MdlNumber: MFCD25953935
Smiles: CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NC(C)C
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.3
CatalogNumber:
AE25308
ChemicalName:
Ethyl 4-(isopropylamino)-3-nitrobenzoate
CasNumber:
1187570-88-2
MolecularFormula:
C12H16N2O4
MolecularWeight:
252.2664
MdlNumber:
MFCD25953935
Smiles:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NC(C)C
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCNc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCNc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE25311
ChemicalName: 5-Fluoro-N-methyl-2-nitroaniline
CasNumber: 120381-42-2
MolecularFormula: C7H7FN2O2
MolecularWeight: 170.1411
MdlNumber: MFCD16744213
Smiles: CNc1cc(F)ccc1[N+](=O)[O-]
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AE25311
ChemicalName:
5-Fluoro-N-methyl-2-nitroaniline
CasNumber:
120381-42-2
MolecularFormula:
C7H7FN2O2
MolecularWeight:
170.1411
MdlNumber:
MFCD16744213
Smiles:
CNc1cc(F)ccc1[N+](=O)[O-]
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(cc1)c1ccc(c(c1)C)F
Complexity: 199
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(cc1)c1ccc(c(c1)C)F
Complexity:
199
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3