AD51306
893734-90-2 | 3-[4-(Trifluoromethyl)phenyl]benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD51306
ChemicalName
3-[4-(Trifluoromethyl)phenyl]benzonitrile
CasNumber
893734-90-2
MolecularFormula
C14H8F3N
MolecularWeight
247.2152
MdlNumber
MFCD06802009
Smiles
N#Cc1cccc(c1)c1ccc(cc1)C(F)(F)F
Complexity
320
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
4.2
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CatalogNumber: AD51306
ChemicalName: 3-[4-(Trifluoromethyl)phenyl]benzonitrile
CasNumber: 893734-90-2
MolecularFormula: C14H8F3N
MolecularWeight: 247.2152
MdlNumber: MFCD06802009
Smiles: N#Cc1cccc(c1)c1ccc(cc1)C(F)(F)F
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 4.2
CatalogNumber:
AD51306
ChemicalName:
3-[4-(Trifluoromethyl)phenyl]benzonitrile
CasNumber:
893734-90-2
MolecularFormula:
C14H8F3N
MolecularWeight:
247.2152
MdlNumber:
MFCD06802009
Smiles:
N#Cc1cccc(c1)c1ccc(cc1)C(F)(F)F
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
4.2
CatalogNumber: AD51307
ChemicalName: Methyl 5-(4-fluorophenyl)nicotinate
CasNumber: 893734-77-5
MolecularFormula: C13H10FNO2
MolecularWeight: 231.2224
MdlNumber: MFCD06802188
Smiles: COC(=O)c1cncc(c1)c1ccc(cc1)F
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AD51307
ChemicalName:
Methyl 5-(4-fluorophenyl)nicotinate
CasNumber:
893734-77-5
MolecularFormula:
C13H10FNO2
MolecularWeight:
231.2224
MdlNumber:
MFCD06802188
Smiles:
COC(=O)c1cncc(c1)c1ccc(cc1)F
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: AD51308
ChemicalName: 4-[3-(Trifluoromethyl)phenyl]benzonitrile
CasNumber: 893734-56-0
MolecularFormula: C14H8F3N
MolecularWeight: 247.2152
MdlNumber: MFCD05979301
Smiles: N#Cc1ccc(cc1)c1cccc(c1)C(F)(F)F
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 4.2
CatalogNumber:
AD51308
ChemicalName:
4-[3-(Trifluoromethyl)phenyl]benzonitrile
CasNumber:
893734-56-0
MolecularFormula:
C14H8F3N
MolecularWeight:
247.2152
MdlNumber:
MFCD05979301
Smiles:
N#Cc1ccc(cc1)c1cccc(c1)C(F)(F)F
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
4.2
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Smiles: COC(=O)c1cncc(c1)c1ccc(o1)C(=O)O
Complexity: __
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Smiles:
COC(=O)c1cncc(c1)c1ccc(o1)C(=O)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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