AA49012
1365271-70-0 | N-Benzyl-5-ethoxy-2-nitroaniline
Manufacturer: A2B Chem
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CatalogNumber
AA49012
ChemicalName
N-Benzyl-5-ethoxy-2-nitroaniline
CasNumber
1365271-70-0
MolecularFormula
C15H16N2O3
MolecularWeight
272.2991
MdlNumber
MFCD21609491
Smiles
CCOc1ccc(c(c1)NCc1ccccc1)[N+](=O)[O-]
Complexity
300
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
4.1
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CatalogNumber: AA49012
ChemicalName: N-Benzyl-5-ethoxy-2-nitroaniline
CasNumber: 1365271-70-0
MolecularFormula: C15H16N2O3
MolecularWeight: 272.2991
MdlNumber: MFCD21609491
Smiles: CCOc1ccc(c(c1)NCc1ccccc1)[N+](=O)[O-]
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 4.1
CatalogNumber:
AA49012
ChemicalName:
N-Benzyl-5-ethoxy-2-nitroaniline
CasNumber:
1365271-70-0
MolecularFormula:
C15H16N2O3
MolecularWeight:
272.2991
MdlNumber:
MFCD21609491
Smiles:
CCOc1ccc(c(c1)NCc1ccccc1)[N+](=O)[O-]
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
4.1
CatalogNumber: AA49013
ChemicalName: 4-Bromo-2,3-difluoro-N-isopropyl-6-nitroaniline
CasNumber: 1365271-69-7
MolecularFormula: C9H9BrF2N2O2
MolecularWeight: 295.0808
MdlNumber: MFCD21609506
Smiles: CC(Nc1c(cc(c(c1F)F)Br)[N+](=O)[O-])C
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4
CatalogNumber:
AA49013
ChemicalName:
4-Bromo-2,3-difluoro-N-isopropyl-6-nitroaniline
CasNumber:
1365271-69-7
MolecularFormula:
C9H9BrF2N2O2
MolecularWeight:
295.0808
MdlNumber:
MFCD21609506
Smiles:
CC(Nc1c(cc(c(c1F)F)Br)[N+](=O)[O-])C
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4
CatalogNumber: AA49014
ChemicalName: 1-[4-(Trifluoromethoxy)phenyl]hexan-1-one
CasNumber: 1365271-68-6
MolecularFormula: C13H15F3O2
MolecularWeight: 260.2522
MdlNumber: MFCD21609708
Smiles: CCCCCC(=O)c1ccc(cc1)OC(F)(F)F
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: 4.7
CatalogNumber:
AA49014
ChemicalName:
1-[4-(Trifluoromethoxy)phenyl]hexan-1-one
CasNumber:
1365271-68-6
MolecularFormula:
C13H15F3O2
MolecularWeight:
260.2522
MdlNumber:
MFCD21609708
Smiles:
CCCCCC(=O)c1ccc(cc1)OC(F)(F)F
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
4.7
CatalogNumber: AA49015
ChemicalName: 4-[(3-Fluorophenyl)carbonyl]benzonitrile
CasNumber: 1365271-67-5
MolecularFormula: C14H8FNO
MolecularWeight: 225.2178
MdlNumber: MFCD16607525
Smiles: N#Cc1ccc(cc1)C(=O)c1cccc(c1)F
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AA49015
ChemicalName:
4-[(3-Fluorophenyl)carbonyl]benzonitrile
CasNumber:
1365271-67-5
MolecularFormula:
C14H8FNO
MolecularWeight:
225.2178
MdlNumber:
MFCD16607525
Smiles:
N#Cc1ccc(cc1)C(=O)c1cccc(c1)F
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.1