AA49013
1365271-69-7 | 4-Bromo-2,3-difluoro-N-isopropyl-6-nitroaniline
Manufacturer: A2B Chem
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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
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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
CatalogNumber: AA49016
ChemicalName: 3-(4-Fluoro-3-methoxyphenyl)benzonitrile
CasNumber: 1365271-56-2
MolecularFormula: C14H10FNO
MolecularWeight: 227.2337
MdlNumber: MFCD21609640
Smiles: N#Cc1cccc(c1)c1ccc(c(c1)OC)F
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AA49016
ChemicalName:
3-(4-Fluoro-3-methoxyphenyl)benzonitrile
CasNumber:
1365271-56-2
MolecularFormula:
C14H10FNO
MolecularWeight:
227.2337
MdlNumber:
MFCD21609640
Smiles:
N#Cc1cccc(c1)c1ccc(c(c1)OC)F
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.3