AF87752
365425-94-1 | N-(2,2,2-Trifluoroethyl) 4-nitrobenzamide
Manufacturer: A2B Chem
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CatalogNumber
AF87752
ChemicalName
N-(2,2,2-Trifluoroethyl) 4-nitrobenzamide
CasNumber
365425-94-1
MolecularFormula
C9H7F3N2O3
MolecularWeight
248.1587
MdlNumber
MFCD07850267
Smiles
O=C(c1ccc(cc1)[N+](=O)[O-])NCC(F)(F)F
Complexity
293
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AF87752
ChemicalName: N-(2,2,2-Trifluoroethyl) 4-nitrobenzamide
CasNumber: 365425-94-1
MolecularFormula: C9H7F3N2O3
MolecularWeight: 248.1587
MdlNumber: MFCD07850267
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])NCC(F)(F)F
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AF87752
ChemicalName:
N-(2,2,2-Trifluoroethyl) 4-nitrobenzamide
CasNumber:
365425-94-1
MolecularFormula:
C9H7F3N2O3
MolecularWeight:
248.1587
MdlNumber:
MFCD07850267
Smiles:
O=C(c1ccc(cc1)[N+](=O)[O-])NCC(F)(F)F
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(Oc1cc(B(O)O)c(cc1Cl)Cl)C
Complexity: 204
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(Oc1cc(B(O)O)c(cc1Cl)Cl)C
Complexity:
204
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF87754
ChemicalName: 1-(4-Nitrophenyl)-3-(trifluoromethyl)benzene
CasNumber: 346-99-6
MolecularFormula: C13H8F3NO2
MolecularWeight: 267.2033
MdlNumber: MFCD20529494
Smiles: [O-][N+](=O)c1ccc(cc1)c1cccc(c1)C(F)(F)F
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4.7
CatalogNumber:
AF87754
ChemicalName:
1-(4-Nitrophenyl)-3-(trifluoromethyl)benzene
CasNumber:
346-99-6
MolecularFormula:
C13H8F3NO2
MolecularWeight:
267.2033
MdlNumber:
MFCD20529494
Smiles:
[O-][N+](=O)c1ccc(cc1)c1cccc(c1)C(F)(F)F
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4.7
CatalogNumber: AF87755
ChemicalName: 4-(4-Fluorophenyl)-3-fluorophenol
CasNumber: 349665-92-5
MolecularFormula: C12H8F2O
MolecularWeight: 206.1881
MdlNumber: MFCD14699562
Smiles: Fc1ccc(cc1)c1ccc(cc1F)O
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.4
CatalogNumber:
AF87755
ChemicalName:
4-(4-Fluorophenyl)-3-fluorophenol
CasNumber:
349665-92-5
MolecularFormula:
C12H8F2O
MolecularWeight:
206.1881
MdlNumber:
MFCD14699562
Smiles:
Fc1ccc(cc1)c1ccc(cc1F)O
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.4