AB84944
893734-87-7 | 3-[3-(Trifluoromethyl)phenyl]benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB84944
ChemicalName
3-[3-(Trifluoromethyl)phenyl]benzonitrile
CasNumber
893734-87-7
MolecularFormula
C14H8F3N
MolecularWeight
247.2152
MdlNumber
MFCD05980398
Smiles
N#Cc1cccc(c1)c1cccc(c1)C(F)(F)F
Complexity
328
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
4.2
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CatalogNumber: AB84944
ChemicalName: 3-[3-(Trifluoromethyl)phenyl]benzonitrile
CasNumber: 893734-87-7
MolecularFormula: C14H8F3N
MolecularWeight: 247.2152
MdlNumber: MFCD05980398
Smiles: N#Cc1cccc(c1)c1cccc(c1)C(F)(F)F
Complexity: 328
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 4.2
CatalogNumber:
AB84944
ChemicalName:
3-[3-(Trifluoromethyl)phenyl]benzonitrile
CasNumber:
893734-87-7
MolecularFormula:
C14H8F3N
MolecularWeight:
247.2152
MdlNumber:
MFCD05980398
Smiles:
N#Cc1cccc(c1)c1cccc(c1)C(F)(F)F
Complexity:
328
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
4.2
CatalogNumber: AB84945
ChemicalName: 4-(3-Fluorophenyl)benzonitrile
CasNumber: 893734-52-6
MolecularFormula: C13H8FN
MolecularWeight: 197.2077
MdlNumber: MFCD05981077
Smiles: N#Cc1ccc(cc1)c1cccc(c1)F
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 3.4
CatalogNumber:
AB84945
ChemicalName:
4-(3-Fluorophenyl)benzonitrile
CasNumber:
893734-52-6
MolecularFormula:
C13H8FN
MolecularWeight:
197.2077
MdlNumber:
MFCD05981077
Smiles:
N#Cc1ccc(cc1)c1cccc(c1)F
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
3.4
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Smiles: Oc1ccc(cn1)c1ccc(o1)C(=O)O
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Smiles:
Oc1ccc(cn1)c1ccc(o1)C(=O)O
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Smiles: NCc1nccn1CC
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Smiles:
NCc1nccn1CC
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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