AA57035
1381944-33-7 | 4-[3-(Benzyloxy)phenyl]-2-fluorobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA57035
ChemicalName
4-[3-(Benzyloxy)phenyl]-2-fluorobenzonitrile
CasNumber
1381944-33-7
MolecularFormula
C20H14FNO
MolecularWeight
303.3297
MdlNumber
MFCD22375061
Smiles
N#Cc1ccc(cc1F)c1cccc(c1)OCc1ccccc1
Complexity
411
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
4.8
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CatalogNumber: AA57035
ChemicalName: 4-[3-(Benzyloxy)phenyl]-2-fluorobenzonitrile
CasNumber: 1381944-33-7
MolecularFormula: C20H14FNO
MolecularWeight: 303.3297
MdlNumber: MFCD22375061
Smiles: N#Cc1ccc(cc1F)c1cccc(c1)OCc1ccccc1
Complexity: 411
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 4.8
CatalogNumber:
AA57035
ChemicalName:
4-[3-(Benzyloxy)phenyl]-2-fluorobenzonitrile
CasNumber:
1381944-33-7
MolecularFormula:
C20H14FNO
MolecularWeight:
303.3297
MdlNumber:
MFCD22375061
Smiles:
N#Cc1ccc(cc1F)c1cccc(c1)OCc1ccccc1
Complexity:
411
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
4.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cc1cccc(c1)c1ccc(cc1)C(=O)N1CCCCC1
Complexity: 436
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1cccc(c1)c1ccc(cc1)C(=O)N1CCCCC1
Complexity:
436
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3
CatalogNumber: AA57037
ChemicalName: 5-Bromo-2-butoxy-3-nitrotoluene
CasNumber: 1381944-31-5
MolecularFormula: C11H14BrNO3
MolecularWeight: 288.1378
MdlNumber: MFCD22375006
Smiles: CCCCOc1c(C)cc(cc1[N+](=O)[O-])Br
Complexity: 232
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 4
CatalogNumber:
AA57037
ChemicalName:
5-Bromo-2-butoxy-3-nitrotoluene
CasNumber:
1381944-31-5
MolecularFormula:
C11H14BrNO3
MolecularWeight:
288.1378
MdlNumber:
MFCD22375006
Smiles:
CCCCOc1c(C)cc(cc1[N+](=O)[O-])Br
Complexity:
232
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
4
CatalogNumber: AA57038
ChemicalName: 2-[5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile
CasNumber: 1381944-30-4
MolecularFormula: C9H5BrF3NO
MolecularWeight: 280.0413
MdlNumber: MFCD22375096
Smiles: N#CCc1cc(Br)ccc1OC(F)(F)F
Complexity: 260
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AA57038
ChemicalName:
2-[5-Bromo-2-(trifluoromethoxy)phenyl]acetonitrile
CasNumber:
1381944-30-4
MolecularFormula:
C9H5BrF3NO
MolecularWeight:
280.0413
MdlNumber:
MFCD22375096
Smiles:
N#CCc1cc(Br)ccc1OC(F)(F)F
Complexity:
260
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
3.4